Benzyltrimethylammonium tribromide(111865-47-5) IR1
Product NameBenzyltrimethylammonium tribromide
CAS111865-47-5
Molecular FormulaC10H16Br3N
Molecular Weight389.96
InChIInChI=1S/C10H16N.Br3/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1
InChIKey OQESKQAHRXOSMS-UHFFFAOYSA-N
Smiles[Br-](Br)Br.C(C1C=CC=CC=1)[N+](C)(C)C
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MassMS-IW-4081 benzyltrimethylammonium tribromide C10H16BrN Br2 (Mass of molecular ion: 229)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 3.5 18.0 1.4 28.0 1.1 29.0 1.0 30.0 5.7 38.0 1.2 39.0 5.0 41.0 1.9 42.0 7.7 43.0 2.2 44.0 4.8 45.0 2.0 50.0 2.0 51.0 3.0 52.0 1.2 57.0 2.5 58.0 52.0 59.0 11.2 62.0 1.7 63.0 4.5 64.0 1.3 65.0 13.1 80.0 2.0 82.0 2.0 85.0 1.0 86.0 1.0 89.0 4.1 90.0 2.2 91.0 100.0 92.0 10.5 94.0 3.6 96.0 3.4 118.0 1.1 120.0 1.0 126.0 1.1 134.0 11.9 135.0 16.1 136.0 1.6 170.0 6.4 172.0 6.2 211.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H16 Br N 0.029 g : 0.5 ml DMSO-d6 benzyltrimethylammonium tribromide 
Assign. Shift(ppm)
A 7.56 to 7.54 B 4.576 C 3.054
Hz ppm Int.3027.71 7.576 34 3026.00 7.572 44 3024.41 7.568 45 3022.46 7.563 66 3019.78 7.557 203 3018.19 7.553 143 3016.24 7.548 218 3012.70 7.539 55 3011.35 7.535 72 3009.40 7.531 32 3008.79 7.529 34 3006.96 7.524 25 1828.98 4.577 243 1220.46 3.054 1000
in DMSO-d6
KBr disc
nujol mull
