2-(TRIFLUOROMETHYL)BENZYLAMINE(3048-01-9) MS
Product Name2-(TRIFLUOROMETHYL)BENZYLAMINE
CAS3048-01-9
Molecular FormulaC8H8F3N
Molecular Weight175.15
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKey ZSKQIFWUTUZAGF-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC=C1C(F)(F)F
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MassMS-NW-7467 o-(trifluoromethyl)benzylamine C8H8F3N (Mass of molecular ion: 175)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.7 27.0 1.2 28.0 14.2 29.0 21.9 30.0 100.0 31.0 1.6 38.0 1.5 39.0 3.7 50.0 5.1 51.0 6.4 52.0 2.2 57.0 2.2 62.0 2.4 63.0 3.3 69.0 2.2 74.0 2.4 75.0 5.4 76.0 2.4 77.0 5.8 77.5 1.1 78.0 2.1 79.0 3.5 81.0 1.4 83.0 1.6 87.0 1.0 88.0 1.1 89.0 3.4 90.0 1.3 91.0 1.2 95.0 2.3 96.0 2.1 99.0 1.5 100.0 1.1 101.0 1.5 102.0 1.2 104.0 1.9 106.0 32.2 107.0 9.1 108.0 3.4 109.0 7.5 116.0 3.2 117.0 1.1 119.0 2.7 125.0 3.0 126.0 2.7 127.0 11.1 128.0 1.4 134.0 21.7 135.0 4.1 136.0 6.7 137.0 1.1 138.0 1.3 139.0 1.0 140.0 1.4 145.0 3.0 146.0 2.4 152.0 3.2 153.0 1.1 154.0 16.2 155.0 2.0 157.0 1.1 158.0 1.7 159.0 21.5 160.0 4.3 172.0 2.9 173.0 1.0 174.0 35.0 175.0 24.4 176.0 2.7 185.0 1.3 186.0 2.1 330.0 2.2 331.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 F3 N 0.05 ml : 0.5 ml CDCl3 o-(trifluoromethyl)benzylamine 
Assign. Shift(ppm)
A 7.609 B 7.551 C 7.520 D 7.320 E 3.995 F 1.81
Hz ppm Int.3057.62 7.651 22 3056.52 7.648 24 3055.66 7.646 25 3055.05 7.645 26 3051.27 7.635 32 3050.78 7.634 32 3045.41 7.621 384 3037.35 7.601 446 3023.56 7.566 210 3016.36 7.548 510 3011.72 7.536 354 3004.39 7.518 425 2996.95 7.499 198 2942.50 7.363 22 2932.62 7.338 218 2925.17 7.320 330 2917.60 7.301 163 1614.14 4.039 23 1596.80 3.996 1000 721.92 1.807 188
in CDCl3
liquid film
