Benzyltrimethylammonium bromide(5350-41-4) IR2
Product NameBenzyltrimethylammonium bromide
CAS5350-41-4
Molecular FormulaC10H16BrN
Molecular Weight230.14
InChIInChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKey UUZYBYIOAZTMGC-UHFFFAOYSA-M
SmilesC1(=CC=CC=C1)C[N+](C)(C)C.[Br-]
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MassMS-NW-7084 benzyltrimethylammonium bromide C10H16BrN (Mass of molecular ion: 229)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 4.0 17.0 1.2 18.0 4.3 27.0 1.6 28.0 4.3 29.0 1.4 30.0 4.8 38.0 2.0 39.0 6.7 40.0 1.4 41.0 3.1 42.0 10.7 43.0 3.0 44.0 3.0 45.0 1.3 50.0 2.9 51.0 3.7 52.0 1.8 56.0 1.0 57.0 3.2 58.0 43.4 59.0 12.2 62.0 2.6 63.0 6.0 64.0 2.1 65.0 12.7 77.0 1.0 85.0 1.0 86.0 1.0 89.0 5.0 90.0 2.5 91.0 100.0 92.0 9.1 94.0 3.1 96.0 3.0 134.0 6.4 135.0 8.8 136.0 1.0 165.0 1.2 166.0 1.1 170.0 5.9 172.0 5.4 179.0 1.3 180.0 1.0 181.0 4.9 182.0 1.3
400 MHz in DMSO-d6
in CDCl3
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1H NMR 399.65 MHz C10 H16 Br N 0.038 g : 0.5 ml DMSO-d6 benzyltrimethylammonium bromide 
Assign. Shift(ppm)
A 7.614 B 7.54 C 4.698 D 3.111
Hz ppm Int.3048.34 7.628 58 3046.75 7.624 73 3043.09 7.615 35 3041.02 7.610 92 3038.94 7.605 104 3022.95 7.564 33 3021.97 7.562 42 3018.19 7.553 77 3016.11 7.547 179 3013.92 7.542 87 3011.72 7.536 36 3010.13 7.532 49 3008.42 7.528 85 3002.69 7.514 22 1877.69 4.699 248 1243.41 3.112 1000
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in CDCl3
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
