Dodecyltrimethylammonium chloride(112-00-5) MS
Product NameDodecyltrimethylammonium chloride
CAS112-00-5
Molecular FormulaC15H34ClN
Molecular Weight263.89
InChIInChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChIKey DDXLVDQZPFLQMZ-UHFFFAOYSA-M
SmilesC(CC[N+](C)(C)C)CCCCCCCCC.[Cl-]
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MassMS-IW-3967 dodecyltrimethylammonium chloride C15H34ClN (Mass of molecular ion: 263)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 2.8 29.0 1.7 30.0 1.1 41.0 3.6 42.0 2.2 43.0 4.9 44.0 2.1 45.0 2.1 46.0 1.2 50.0 7.7 52.0 2.5 55.0 3.7 56.0 1.3 57.0 4.2 58.0 100.0 59.0 6.7 69.0 2.2 70.0 1.0 71.0 1.7 83.0 1.0 84.0 2.3 91.0 2.5 212.0 1.4 213.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H34 Cl N 0.031 g : 0.5 ml CDCl3 dodecyltrimethylammonium chloride 
Assign. Shift(ppm)
A 3.566 B 3.466 C 1.74 D 1.40 to 1.28 E 1.26 F 0.881
Hz ppm Int.1434.33 3.589 59 1429.20 3.577 34 1425.78 3.568 43 1422.12 3.559 33 1417.11 3.546 63 1385.38 3.467 1000 696.90 1.744 32 696.53 1.743 32 695.07 1.740 31 539.18 1.350 77 527.59 1.321 42 520.26 1.302 56 512.70 1.283 83 501.71 1.256 667 359.13 0.899 87 352.42 0.882 265 345.34 0.865 105
in CDCl3
KBr disc
nujol mull
