TABLE 1. 1H NMR DATA Data taken from Gottlieb, H. E., Kotlyar, V., and Nudelman, A.; NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities, J. Org. Chem 1997, 62, 7512-7515
Proton |
mult |
CDCL3 |
(CD3)2CO |
(CD3)2SO |
C6D6 |
CD3 CN |
CD3OD |
D2O |
||
solvent residual peak |
7.26 |
2.05 |
2.50 |
7.16 |
1.94 |
3.31 |
4.79 |
|||
H20 |
s |
1.56 |
2.84a |
3.33a |
0.40 |
2.13 |
4.87 |
|||
acetic acid |
CH3 |
s |
2.10 |
1.96 |
1.91 |
1.55 |
1.96 |
1.99 |
2.08 |
|
acetone |
CH3 |
s |
2.17 |
2.09 |
2.09 |
1.55 |
2.08 |
2.15 |
2.22 |
|
acetonitrile |
CH3 |
s |
2.10 |
2.05 |
2.07 |
1.55 |
1.96 |
2.03 |
2.06 |
|
benzene |
CH |
s |
7.36 |
7.36 |
7.37 |
7.15 |
7.37 |
7.33 |
||
tert-butyl methyl alcohol |
CH3 |
s |
1.28 |
1.18 |
1.11 |
1.05 |
1.16 |
1.40 |
1.24 |
|
OHc |
s |
4.19 |
1.55 |
2.18 |
||||||
tert-butyl methyl ether |
CCH3 |
s |
1.19 |
1.13 |
1.11 |
1.07 |
1.14 |
1.15 |
1.21 |
|
OCH3 |
s |
3.22 |
3.13 |
3.08 |
3.04 |
3.13 |
3.20 |
3.22 |
||
BHTb |
ArH |
s |
6.98 |
6.96 |
6.87 |
7.05 |
6.97 |
6.92 |
||
OHc |
s |
5.01 |
6.65 |
4.79 |
5.20 |
|||||
ArCH3 |
s |
2.27 |
2.22 |
2.18 |
2.24 |
2.22 |
2.21 |
|||
ArC(CH3)3 |
s |
1.43 |
1.41 |
1.36 |
1.38 |
1.39 |
1.40 |
|||
chloroform |
CH |
s |
7.26 |
8.02 |
8.32 |
6.15 |
7.58 |
7.90 |
||
cyclohexane |
CH2 |
s |
1.43 |
1.43 |
1.40 |
1.40 |
1.44 |
1.45 |
||
1,2-dichloroethane |
CH2 |
s |
3.73 |
3.87 |
3.90 |
2.90 |
3.81 |
3.78 |
||
dichloromethane |
CH2 |
s |
5.30 |
5.63 |
5.76 |
4.27 |
5.44 |
5.49 |
||
diethyl ether |
CH3 |
t,7 |
1.21 |
1.11 |
1.09 |
1.11 |
1.12 |
1.18 |
1.17 |
|
CH2 |
q,7 |
3.48 |
3.41 |
3.38 |
3.26 |
3.42 |
3.49 |
3.56 |
||
diglyme |
CH2 |
m |
3.65 |
3.56 |
3.51 |
3.46 |
3.53 |
3.61 |
3.67 |
|
CH2 |
m |
3.57 |
3.47 |
3.38 |
3.34 |
3.45 |
3.58 |
3.61 |
||
OCH3 |
s |
3.39 |
3.28 |
3.24 |
3.11 |
3.29 |
3.35 |
3.37 |
||
1,2-dimethoxyethane |
CH3 |
s |
3.40 |
3.28 |
3.24 |
3.12 |
3.28 |
3.35 |
3.37 |
|
CH2 |
s |
3.55 |
3.46 |
3.43 |
3.33 |
3.45 |
3.52 |
3.60 |
||
dimethylacetamide |
CH3CO |
s |
2.09 |
1.97 |
1.96 |
1.60 |
1.97 |
2.07 |
2.08 |
|
NCH3 |
s |
3.02 |
3.00 |
2.94 |
2.57 |
2.96 |
3.31 |
3.06 |
||
NCH3 |
s |
2.94 |
2.83 |
2.78 |
2.05 |
2.83 |
2.92 |
2.90 |
||
dimethylformanamide |
CH |
s |
8.02 |
7.96 |
7.95 |
7.63 |
7.92 |
7.97 |
7.92 |
|
CH3 |
s |
2.96 |
2.94 |
2.89 |
2.36 |
2.89 |
2.99 |
3.01 |
||
CH3 |
s |
2.88 |
2.78 |
2.73 |
1.86 |
2.77 |
2.86 |
2.85 |
||
dimethyl sulfoxide |
CH3 |
s |
2.62 |
2.52 |
2.54 |
1.68 |
2.50 |
2.65 |
2.71 |
|
dioxane |
CH2 |
s |
3.71 |
3.59 |
3.57 |
3.35 |
3.60 |
3.66 |
3.75 |
|
ethanol |
CH3 |
t, 7 |
1.25 |
1.12 |
1.06 |
0.96 |
1.12 |
1.19 |
1.17 |
|
CH2 |
q, 7d |
3.72 |
3.57 |
3.44 |
3.34 |
3.54 |
3.60 |
3.65 |
||
OH |
sc,d |
1.32 |
3.39 |
4.63 |
2.47 |
|||||
ethyl acetate |
CH3CO |
s |
2.05 |
1.97 |
1.99 |
1.65 |
1.97 |
2.01 |
2.07 |
|
CH2CH3 |
q, 7 |
4.12 |
4.05 |
4.03 |
3.89 |
4.06 |
4.09 |
4.14 |
||
CH2CH3 |
t, 7 |
1.26 |
1.20 |
1.17 |
0.92 |
1.20 |
1.24 |
1.24 |
||
ethyl methyl ketone |
CH3CO |
s |
2.14 |
2.07 |
2.07 |
1.58 |
2.06 |
2.12 |
2.19 |
|
CH2CH3 |
q, 7 |
2.46 |
2.45 |
2.43 |
1.81 |
2.43 |
2.50 |
3.18 |
||
CH2CH3 |
t, 7 |
1.06 |
0.96 |
0.91 |
0.85 |
0.96 |
1.01 |
1.26 |
||
ethylene glycol |
CH |
se |
3.76 |
3.28 |
3.34 |
3.41 |
3.51 |
3.59 |
3.65 |
|
"grease"f |
CH3 |
m |
0.86 |
0.87 |
0.92 |
0.86 |
0.88 |
|||
CH2 |
br s |
1.26 |
1.29 |
1.36 |
1.27 |
1.29 |
||||
n-hexane |
CH3 |
t |
0.88 |
0.88 |
0.86 |
0.89 |
0.89 |
0.90 |
||
CH2 |
m |
1.26 |
1.28 |
1.25 |
1.24 |
1.28 |
1.29 |
|||
HMPAg |
CH3 |
d, 9.5 |
2.59 |
2.65 |
2.53 |
2.40 |
2.57 |
2.64 |
2.61 |
|
methanol |
CH3 |
sh |
3.49 |
3.31 |
3.16 |
3.07 |
3.28 |
3.34 |
3.34 |
|
OH |
sc,h |
1.09 |
3.12 |
4.01 |
2.16 |
|||||
nitromethane |
CH3 |
s |
4.33 |
4.43 |
4.42 |
2.94 |
4.31 |
4.34 |
4.40 |
|
n-pentane |
CH3 |
t, 7 |
0.88 |
0.88 |
0.86 |
0.87 |
0.89 |
0.90 |
||
CH2 |
m |
1.27 |
1.27 |
1.27 |
1.23 |
1.29 |
1.29 |
|||
2-propanol |
CH3 |
d, 6 |
1.22 |
1.10 |
1.04 |
0.95 |
1.09 |
1.50 |
1.17 |
|
CH |
sep, 6 |
4.04 |
3.90 |
3.78 |
3.67 |
3.87 |
3.92 |
4.02 |
||
pyridine |
CH(2) |
m |
8.62 |
8.58 |
8.58 |
8.53 |
8.57 |
8.53 |
8.52 |
|
CH(3) |
m |
7.29 |
7.35 |
7.39 |
6.66 |
7.33 |
7.44 |
7.45 |
||
CH(4) |
m |
7.68 |
7.76 |
7.79 |
6.98 |
7.73 |
7.85 |
7.87 |
||
silicone greasei |
CH3 |
s |
0.07 |
0.13 |
0.29 |
0.08 |
0.10 |
|||
tetrahydrofuran |
CH2 |
m |
1.85 |
1.79 |
1.76 |
1.40 |
1.80 |
1.87 |
1.88 |
|
CH2O |
m |
3.76 |
3.63 |
3.60 |
3.57 |
3.64 |
3.71 |
3.74 |
||
toluene |
CH3 |
s |
2.36 |
2.32 |
2.30 |
2.11 |
2.33 |
2.32 |
||
CH(o / p) |
m |
7.17 |
7.1-7.2 |
7.18 |
7.02 |
7.1-7.3 |
7.16 |
|||
CH(m) |
m |
7.25 |
7.1-7.2 |
7.25 |
7.13 |
7.1-7.3 |
7.16 |
|||
triethylamine |
CH3 |
t,7 |
1.03 |
0.96 |
0.93 |
0.96 |
0.96 |
1.05 |
0.99 |
|
CH2 |
q,7 |
2.53 |
2.45 |
2.43 |
2.40 |
2.45 |
2.58 |
2.57 |
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