4-Dimethylaminopyridinium bromide perbromide(92976-81-3) MS
Product Name4-Dimethylaminopyridinium bromide perbromide
CAS92976-81-3
Molecular FormulaC7H10N2.Br3H
Molecular Weight362.89
InChIInChI=1S/C7H10N2.Br2.BrH/c1-9(2)7-3-5-8-6-4-7;1-2;/h3-6H,1-2H3;;1H
InChIKey YYMYHCVIDRMBTB-UHFFFAOYSA-N
SmilesC1(N(C)C)=CC=NC=C1.BrBr.Br
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MassMS-NW-7053 4-(dimethylamino)pyridinium bromide perbromide C7H10N2 HBr Br2 (Mass of molecular ion: 202)
Source Temperature: 230 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 3.5 17.0 1.0 18.0 3.6 26.0 1.2 27.0 2.1 28.0 3.3 38.0 1.7 39.0 4.4 40.0 1.3 41.0 2.2 42.0 8.7 43.0 1.6 44.0 7.5 50.0 5.4 51.0 15.2 52.0 5.7 53.0 3.1 54.0 2.0 55.0 1.0 60.5 2.1 61.0 2.9 64.0 1.3 65.0 1.9 66.0 2.4 67.0 1.7 68.0 1.9 77.0 1.1 78.0 12.9 79.0 8.2 80.0 19.6 81.0 7.7 82.0 19.2 92.0 2.9 93.0 3.1 94.0 8.4 95.0 1.9 105.0 5.4 106.0 5.6 107.0 3.5 119.0 2.8 120.0 1.0 121.0 100.0 122.0 87.3 123.0 7.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H10 N2 0.040 g : 0.5 ml DMSO-d6 4-(dimethylamino)pyridinium bromide perbromide 
Assign. Shift(ppm)
A 8.219 B 6.986 C 3.68 D 3.204
Hz ppm Int.3288.70 8.229 42 3281.37 8.211 43 2796.88 6.999 85 2790.16 6.982 45 2789.18 6.980 82 1468.63 3.675 29 1280.88 3.206 1000
DMSO-d6
KBr disc
nujol mull
