Cetyldimethylethylammonium bromide(124-03-8) MS
Product NameCetyldimethylethylammonium bromide
CAS124-03-8
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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Assign. Shift(ppm)
A 3.71 B 3.52 C 3.39 D 1.70 E 1.39 F 1.26 G 0.89Spectral Code: 1H NMR : 90 MHz in CDCl3
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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 13Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder
