Octadecy trimethyl ammonium bromide(1120-02-1) 1H NMR
Product NameOctadecy trimethyl ammonium bromide
CAS1120-02-1
Molecular FormulaC21H46BrN
Molecular Weight392.5
InChIInChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
InChIKey SZEMGTQCPRNXEG-UHFFFAOYSA-M
SmilesC(CC[N+](C)(C)C)CCCCCCCCCCCCCCC.[Br-]
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MassMS-IW-0836 trimethyloctadecylammonium bromide C21H46BrN (Mass of molecular ion: 391)
Source Temperature: 200 °C Sample Temperature: 210 °C Direct, 75 eV
41.0 2.0 43.0 3.1 45.0 1.1 55.0 2.5 57.0 3.3 58.0 100.0 59.0 4.4 69.0 1.9 71.0 2.2 83.0 1.1 84.0 2.2 85.0 1.1 94.0 3.4 96.0 3.2 296.0 1.3 297.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H46 Br N 0.035 g : 0.5 ml CDCl3 trimethyloctadecylammonium bromide 
Assign. Shift(ppm)
A 3.611 B 3.485 C 1.749 D 1.36 E 1.26 F 0.880
Hz ppm Int.1453.25 3.637 42 1444.70 3.615 32 1436.04 3.594 45 1393.07 3.486 829 542.24 1.357 58 519.65 1.301 43 501.95 1.256 1000 358.40 0.897 65 351.68 0.880 206 344.60 0.863 78
in CDCl3
KBr disc
nujol mull
