4-(Trifluoromethyl)benzylamine(3300-51-4) MS
Product Name4-(Trifluoromethyl)benzylamine
CAS3300-51-4
Molecular FormulaC8H8F3N
Molecular Weight175.15
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKey PRDBLLIPPDOICK-UHFFFAOYSA-N
SmilesC1(CN)=CC=C(C(F)(F)F)C=C1
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MassMS-IW-6468 p-(trifluoromethyl)benzylamine C8H8F3N (Mass of molecular ion: 175)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 31.2 29.0 17.6 30.0 53.0 31.0 1.0 38.0 1.1 39.0 2.3 50.0 4.6 51.0 5.2 52.0 1.6 52.5 1.0 57.0 1.6 62.0 2.2 63.0 2.7 69.0 2.4 74.0 2.1 75.0 5.6 76.0 2.1 77.0 6.9 77.5 3.1 78.0 2.8 79.0 5.0 83.0 1.1 89.0 2.1 95.0 3.8 96.0 2.2 99.0 1.4 104.0 3.2 105.0 1.4 106.0 44.0 107.0 5.1 108.0 1.1 109.0 7.0 119.0 2.6 125.0 2.8 126.0 1.8 127.0 32.1 128.0 3.0 134.0 1.1 136.0 1.4 138.0 1.0 139.0 1.0 140.0 1.3 145.0 8.6 146.0 2.4 154.0 3.5 155.0 1.8 156.0 10.8 157.0 1.4 158.0 1.3 159.0 10.2 160.0 1.0 172.0 6.0 173.0 1.4 174.0 100.0 175.0 64.1 176.0 6.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 F3 N 0.05 ml : 0.5 ml CDCl3 p-(trifluoromethyl)benzylamine 
Assign. Shift(ppm)
A 7.56 B 7.42 C 3.909 D 1.66
Hz ppm Int.682.81 7.625 181 679.31 7.585 66 674.56 7.532 534 671.00 7.493 112 667.06 7.449 469 658.81 7.357 168 658.25 7.350 151 655.25 7.317 32 654.94 7.313 30 654.06 7.304 24 350.38 3.913 675 343.81 3.839 28 148.88 1.663 1000
in CDCl3
liquid film
