hexadecyltrimethylammonium stearate (124-23-2) IR1
Product Namehexadecyltrimethylammonium stearate
CAS124-23-2
Molecular FormulaC19H42N.C18H35O2
Molecular Weight568.02
InChIInChI=1S/C19H42N.C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-19H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1
InChIKey DXQWPBNWAKTXPF-UHFFFAOYSA-M
SmilesC(CCCCCCCCCCCCCCCCC)(=O)[O-].[N+](C)(C)(C)CCCCCCCCCCCCCCCC
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MassMS-NW-9208 hexadecyltrimethylammonium stearate C37H77NO2 (Mass of molecular ion: 567)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
27.0 1.1 29.0 3.6 41.0 8.5 42.0 2.7 43.0 12.4 44.0 1.6 45.0 1.4 46.0 1.0 55.0 9.5 56.0 2.3 57.0 7.8 58.0 100.0 59.0 5.3 67.0 1.3 69.0 6.2 70.0 1.7 71.0 3.8 74.0 35.2 75.0 8.2 81.0 1.2 83.0 4.5 84.0 3.1 85.0 2.0 87.0 23.6 88.0 2.1 97.0 3.5 98.0 1.6 101.0 2.6 111.0 1.5 115.0 1.0 129.0 3.1 143.0 8.8 144.0 1.0 157.0 1.7 185.0 1.8 199.0 3.5 213.0 1.2 241.0 1.1 255.0 3.1 267.0 1.5 268.0 1.2 269.0 2.4 298.0 5.9 299.0 1.5
in CDCl3
KBr disc
nujol mull
