Benzyltributylammonium chloride(23616-79-7) IR2
Product NameBenzyltributylammonium chloride
CAS23616-79-7
Molecular FormulaC19H34ClN
Molecular Weight311.93
InChIInChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChIKey VJGNLOIQCWLBJR-UHFFFAOYSA-M
Smiles[N+](CCCC)(CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]
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MassMS-IW-1420 benzyltributylammonium chloride C19H34ClN (Mass of molecular ion: 311)
Source Temperature: 210 °C Sample Temperature: 160 °C Direct, 75 eV
29.0 3.2 30.0 1.9 39.0 2.5 41.0 3.6 42.0 1.9 43.0 1.2 44.0 2.9 45.0 1.1 51.0 1.3 55.0 1.1 56.0 1.3 57.0 3.2 58.0 2.7 62.0 1.1 63.0 3.0 65.0 6.0 84.0 1.8 86.0 2.1 89.0 3.5 90.0 1.2 91.0 72.3 92.0 6.3 98.0 2.4 100.0 26.6 101.0 1.9 125.0 2.7 126.0 25.3 127.0 2.8 128.0 8.4 140.0 1.5 142.0 100.0 143.0 10.7 176.0 5.5 184.0 1.3 185.0 8.7 186.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H34 Cl N 0.040 g : 0.5 ml CDCl3 benzyltributylammonium chloride 
Assign. Shift(ppm)
A 7.550 B 7.473 C 7.436 D 4.914 E 3.343 F 1.793 G 1.413 J 0.987
Hz ppm Int.3022.46 7.563 105 3015.99 7.547 134 3014.28 7.543 119 2989.99 7.482 70 2984.62 7.469 50 2983.03 7.465 80 2981.45 7.461 46 2978.03 7.452 137 2972.53 7.438 67 2970.83 7.434 128 2964.11 7.417 41 1964.11 4.915 276 1345.21 3.366 171 1339.97 3.353 115 1336.79 3.345 142 1333.50 3.337 112 1333.25 3.337 112 1328.13 3.324 185 731.93 1.832 43 724.37 1.813 94 719.97 1.802 101 715.94 1.792 139 712.04 1.782 103 708.13 1.772 110 699.95 1.752 54 576.29 1.442 122 568.97 1.424 221 561.52 1.406 227 554.08 1.387 130 546.88 1.369 34 401.86 1.006 504 394.53 0.988 1000 387.08 0.969 436
in CDCl3
KBr disc
nujol mull
