dibenzyldimethylammonium chloride(100-94-7) MS
Product Namedibenzyldimethylammonium chloride
CAS100-94-7
Molecular FormulaC16H20N.Cl
Molecular Weight261.79
InChIInChI=1S/C16H20N.ClH/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
InChIKey LCXAARCEIWRIMU-UHFFFAOYSA-M
SmilesC1(C=CC=CC=1)C[N+](C)(C)CC1C=CC=CC=1.[Cl-]
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MassMS-NW-7178 dibenzyldimethylammonium chloride C16H20ClN H2O (Mass of molecular ion: 261)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.7 17.0 2.0 18.0 8.6 27.0 1.3 30.0 2.9 38.0 1.8 39.0 9.0 40.0 1.0 41.0 2.7 42.0 10.2 43.0 1.8 44.0 5.8 45.0 2.0 50.0 3.7 51.0 5.4 52.0 1.6 57.0 2.3 58.0 58.9 59.0 2.5 61.0 1.1 62.0 2.8 63.0 7.0 64.0 2.1 65.0 14.5 66.0 1.0 77.0 2.0 89.0 5.8 90.0 2.5 91.0 100.0 92.0 11.2 118.0 2.1 120.0 1.4 125.0 1.9 126.0 14.7 127.0 1.9 128.0 4.9 132.0 1.3 134.0 20.0 135.0 28.2 136.0 2.9 211.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H20 Cl N 0.042 g : 0.5 ml CDCl3 dibenzyldimethylammonium chloride 
Assign. Shift(ppm)
A 7.65 B 7.45 to 7.290 C 5.082 D 3.093 E 3.1 E-PEAK INCLUDES H2O.
Hz ppm Int.691.44 7.721 122 689.19 7.696 163 685.63 7.656 199 681.81 7.613 231 667.13 7.449 87 663.38 7.408 456 661.38 7.385 405 658.00 7.348 236 656.56 7.331 221 655.19 7.316 152 653.75 7.300 70 652.75 7.289 72 455.25 5.084 466 280.69 3.135 1000 277.06 3.094 698 270.31 3.019 73 269.63 3.011 65 269.19 3.006 57 268.81 3.002 58
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
