Tetradecyldimethylbenzylammonium chloride(139-08-2) MS
Product NameTetradecyldimethylbenzylammonium chloride
CAS139-08-2
Molecular FormulaC23H42ClN
Molecular Weight368.04
InChIInChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
InChIKey OCBHHZMJRVXXQK-UHFFFAOYSA-M
SmilesC1(=CC=CC=C1)C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]
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MassMS-NW-9059 benzyldimethyltetradecylammonium chloride C23H42ClN (Mass of molecular ion: 367)
Source Temperature: 200 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 5.9 41.0 1.9 43.0 2.2 44.0 1.4 45.0 1.9 55.0 1.5 57.0 1.5 58.0 100.0 59.0 3.7 65.0 1.8 91.0 18.1 92.0 1.5 126.0 4.6 128.0 1.5 134.0 4.2 241.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C23 H42 Cl N 0.046 g : 0.5 ml CDCl3 benzyldimethyltetradecylammonium chloride 
Assign. Shift(ppm)
A 7.66 B 7.42 C 4.977 D 3.45 E 3.277 F 1.25 G 0.88
Hz ppm Int.684.94 7.648 48 681.44 7.609 56 667.44 7.453 116 665.00 7.426 90 662.50 7.398 49 661.88 7.391 49 661.56 7.387 49 660.88 7.380 50 445.81 4.978 105 293.56 3.278 329 112.31 1.255 1000 84.00 0.938 53 82.25 0.919 47 81.94 0.915 47 78.81 0.880 119 72.69 0.812 38
in CDCl3
KBr disc
nujol mull
