What compound is this? 2-Iodopropane

What compound is this?

What compound is this?

2 1 3 A typical triplet with the peak ratio of 1:2:1 Note that the distance between peaks 1-2 and 2-3 is the same 1 3

2 1 3 Chemical Shift: d = 3.4084 ppm (from center peak of triplet) d = (3.4340+3.3827)/2 = 3.4384 ppm (from outside peaks) Report as d = 3.44 ppm Coupling Constant: J = (3.4340-3.4084)x270 = 6.912 Hz (distance between peak 1 and 2) J = (3.4084-3.3827)x270 = 6.939 Hz (distance between peak 2 and 3) J (average) = 6.9255 Hz In a different way: J = (3.4340-3.3827)/2x270 = 6.9255 Hz Report as J = 6.9 Hz  3.44 (t, J=6.9 Hz) 2 1 3

3 A typical pentet Note that the distances between peaks are the same 1-2 = 2-3 = 3-4 = 4-5 4 2 5 1

3 4 2 5 1 Chemical Shift: d = 1.8571 ppm (from center peak of pentet) = (1.9083+1.8036)/2 = 1.8536 ppm (peaks 1-5) d = (1.8834+1.8292)/2 = 1.8563 ppm (peaks 2-4) Coupling Constant: J = (1.9083-1.8834)x270 = 6.723 Hz (peaks 1-2) J = (1.8834-1.8571)x270 = 7.101 Hz (peaks 2-3) J = (1.8571-1.8292)x270 = 7.533 Hz (peaks 3-4) J = (1.8292-1.8036)x270 = 6.912 Hz (peaks 4-5) J (average) = 7.06725 Hz In a different way: J = (1.9083-1.8036)/4x270 = 7.06725 Hz  1.86 (pent, J=7.1 Hz) 4 2 5 1

4 3 A typical sextet Note that the distances between peaks are the same 1-2 = 2-3 = 3-4 = 4-5 = 5-6 d = 1.60 (sext, J = 7.4 Hz) 5 2 6 1

4 A typical septet Note that the distances between peaks are the same 1-2 = 2-3 = 3-4 = 4-5 = 5-6 = 6-7 d = 1.69 (sept, J = 6.7 Hz) 5 3 6 2 7 1

Pascal’s triangle singlet doublet triplet quartet pentet sextet septet octet nonet decet

What is this?

The coupling constant can be calculated between peaks 1-2=2-3=3-4=4-5=5-6 or as a check (1-6)/5 dd sextet Intensity ratio = 1:1:1:1 Intensity ratio = 1:5:10:10:5:1

What type of splitting is this?

What type of splitting is this? This is a typical dd. A quartet would have the intensity ratio 1:4:4:1 and the same distance between peaks. Ideally, the four peaks should have the same intensity.

Chemical Shift and Coupling Calculations = (p1+p4)/2 = (p2-p3)/2 Jsmall = (p1-p2)x270 = (p3-p4)x270 Jlarge = (p1-p3)x270 = (p2-p4)x270 To check math = (p1-p4)x270 = Jsmall + Jlarge d = 6.89 (dd, J = 15.8 and 4.3 Hz)

What is this?

An example of two dd corresponding to two different protons. 1 = (4.3236+4.2643)/2 = 4.29 ppm Jsmall = (4.3236-4.3090)x270 = 3.9 Hz Jlarge = (4.3236-4.2797)x270 = 11.9 Hz 2 = (4.1749+4.1083)/2 = 4.14 ppm Jsmall = (4.1749-4.1530)x270 = 5.9 Hz Jlarge = (4.1749-4.1310)x270 = 11.9 Hz

This can either be two triplet or a doublet of a triplet. For example, CH2-CH-CH if the coupling constants between CH2-CH and CH-CH are different.

This represents either two separate but overlapping triplets (t) or a doublet of a triplet (dt). If it is a dt: Jd = (1-3)x270 = (2-5)x270 = (4-6)x270 Jt = (1-2)x270 = (2-4)x270 = (3-5)x270 = (5-6)x270 d = 2.37 (dt, J = 10.6, 7.2 Hz)

What is this?

This is either two quartets or a dq

This represents either two separate but overlapping quartets (q) or a doublet of a quartet (dq). If it is a dq: Jd = (1-4)x270 = (2-6)x270 = (3-7)x270 = (5-8)x270 Jq = (1-2)x270 = (2-3)x270 = (3-5)x270 (for first quartet) or =(4-6)x270 = (6-7)x270 = (7-8)x270 (for second quartet) d = 5.66 (dq, J = 16.1, 6.7 Hz)

What is this?

1 3 2 Probably a ddd = (1+8)/2 = or …… Jsmall = (1-2)x270 = or …… Jmedium = (1-3)x270 = or …… Jlarge = (1-5)x270 = or ….. Total distance = (1-8)x270 = Jsmall + Jmedium + Jlarge 4 5 6 7 8

How many lines do you see?

Calculations for this ddd 1-2-3-(4+5)-6-7-8 Jlarge = 1-(4+5) = 2-6 = 3-7 = (4+5)-8 Jmiddle= 1-3 = 2-(4+5) = (4+5)-7 = 6-8 Jsmall = 1-2 = 3-(4+5) = (4+5)-6 = 7-8 = 6.05 (ddd, J = 17.3, 10.4, 7.2 Hz) Check math: 1-8 = 34.9 Hz J = 17.3 + 10.4 + 7.2 = 34.9 Hz

B + C B + C A total of 10 lines is seen. Since this is not a dquint it must be something else. There is no other possible combination of splittings that would give a 10 line pattern. Thus, it must be more than 10 but overlapping, perhaps 12 (2x2x3). This is most likely a ddt D A D C D B A A

5 + 6 7 + 8 11 2 9 10 12 4 3 1 Calculations for this ddt 1-2-3-4-(5+6)-(7+8)-9-10-11-12 Jsmall = [1-2 = 2-4] = [3-(5+6) = (5+6)-(7+8)] = (5+6)-(7+8) = (7+8)-10] = 9-11 = 11-12 Jlarge= 1-(5+6) = 2-(7+8) = etc Jmiddle = 1-3 = 2-(5+6) =etc = 5.76 (ddt, J = 17.0, 10.1, 6.7 Hz) Check math: 1-12 = 40.8 Hz Jtotal = 17.0 + 10.1 + 2x6.7 = 40.5 Hz 11 2 9 10 12 4 3 1

Integration: 0.385 : 0.787 : 0.385 : 0.375 : 0.391 : 0.588

Integration: 0.385 : 0.787 : 0.385 : 0.375 : 0.391 : 0.588 Equals: 1 : 2.04 : 1 : 0.97 : 1.01 : 1.53

Integration: 0.385 : 0.787 : 0.385 : 0.375 : 0.391 : 0.588 Equals: 1 : 2.04 : 1 : 0.97 : 1.01 : 1.53 Probably: 2 : 4 : 2 : 2 : 2 : 3

Integration: 0.385 : 0.787 : 0.385 : 0.375 : 0.391 : 0.588 Equals: 1 : 2.04 : 1 : 0.97 : 1.01 : 1.53 Probably: 2 : 4 : 2 : 2 : 2 : 3 Multiplicities: 2 (t) : 4 (dt or two t) : 2 (pent) : 2 (pent) : 2 (sext) : 3 (t)

Integration: 0.385 : 0.787 : 0.385 : 0.375 : 0.391 : 0.588 Equals: 1 : 2.04 : 1 : 0.97 : 1.01 : 1.53 Probably: 2 : 4 : 2 : 2 : 2 : 3 Multiplicities: 2 (t) : 4 (dt or two t) : 2 (pent) : 2 (pent) : 2 (sext) : 3 (t) CH2 : 2 CH2 : CH2 : CH2 : CH2 : CH3 CH3 + CH

Three different signals, a t and two d. J1 = 7.7 Hz J2 = 7.3 Hz J3 = 7.5 Hz

How many different protons?

Coupling constants between vicinal aromatic protons can also be slightly different. d or dd dd ddd ddd

Interpret the splitting patterns in this spectrum.

Interpret the splitting patterns in this spectrum. dd ddd Probably a dq Maybe t dd Hard to tell maybe ddd