3-(Trifluoromethyl)benzylamine(2740-83-2) Raman
Product Name3-(Trifluoromethyl)benzylamine
CAS2740-83-2
Molecular FormulaC8H8F3N
Molecular Weight175.15
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey YKNZTUQUXUXTLE-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC(C(F)(F)F)=C1
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MassMS-NW-7565 m-(trifluoromethyl)benzylamine C8H8F3N (Mass of molecular ion: 175)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.7 27.0 1.8 28.0 47.8 29.0 31.6 30.0 98.6 31.0 1.4 38.0 1.9 39.0 4.0 41.0 1.0 50.0 6.7 51.0 7.5 52.0 2.5 52.5 1.1 54.0 1.1 57.0 2.2 61.0 1.0 62.0 3.1 63.0 4.1 69.0 3.5 74.0 3.0 75.0 7.0 76.0 3.0 77.0 8.2 77.5 3.5 78.0 3.6 79.0 4.9 81.0 1.1 83.0 1.8 87.0 1.2 88.0 1.1 89.0 2.8 95.0 4.8 96.0 2.6 99.0 2.0 101.0 1.4 104.0 3.2 105.0 1.5 106.0 49.0 107.0 6.5 108.0 1.5 109.0 7.6 113.0 1.0 114.0 1.0 119.0 4.2 125.0 3.8 126.0 2.4 127.0 31.8 128.0 3.2 134.0 2.6 136.0 2.5 138.0 1.7 139.0 1.5 140.0 1.0 145.0 8.8 146.0 2.9 154.0 5.8 155.0 1.6 156.0 13.2 157.0 2.0 158.0 2.0 159.0 18.6 160.0 3.2 172.0 6.5 173.0 1.7 174.0 100.0 175.0 53.9 176.0 4.9 330.0 1.2 331.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 F3 N 0.05 ml : 0.5 ml CDCl3 m-(trifluoromethyl)benzylamine 
Assign. Shift(ppm)
A 7.595 B 7.49 C 7.428 D 3.914 E 1.59
Hz ppm Int.3035.77 7.597 297 3035.16 7.595 331 3034.55 7.594 307 2998.41 7.503 227 2997.80 7.502 224 2997.19 7.500 213 2990.23 7.483 406 2973.88 7.442 254 2966.43 7.423 194 2958.62 7.404 88 1564.45 3.915 1000 634.16 1.587 619
in CDCl3
liquid film
