CETYLDIMETHYLETHYLAMMONIUM BROMIDE(124-03-8) 1H NMR
Molecular FormulaC20H44BrN
Molecular Weight378.47
InChIInChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey VUFOSBDICLTFMS-UHFFFAOYSA-M
SmilesC(C[N+](C)(C)CC)CCCCCCCCCCCCCC.[Br-]
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![](https://www.chemicalbook.com/Spectrum/124-03-8_1HNMR_0.jpg)
Assign. Shift(ppm)
A 3.71
B 3.52
C 3.39
D 1.70
E 1.39
F 1.26
G 0.89
Spectral Code: 1H NMR : 90 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/124-03-8_13CNMR_0.jpg)
ppm Int. Assign.
63.63 111 1
59.52 101 2
50.69 182 3
31.93 222 4
29.68 1000 5 *
29.53 510 6 *
7 *
29.36 455 8 *
26.35 141 9
22.84 172 10 #
22.69 268 11 #
14.13 227 12
8.71 202 13
Spectral Code: 13C NMR : in CDCl3
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![](https://www.chemicalbook.com/Spectrum/124-03-8_IR1_0.jpg)
Spectral Code: IR : nujol mull
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![](https://www.chemicalbook.com/Spectrum/124-03-8_Raman_0.jpg)
Spectral Code: Raman : 4880 A,200 M,powder