2-(Trifluoromethyl)benzyl alcohol(346-06-5) IR1
Product Name2-(Trifluoromethyl)benzyl alcohol
CAS346-06-5
Molecular FormulaC8H7F3O
Molecular Weight176.14
InChIInChI=1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
InChIKey TWQNSHZTQSLJEE-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC=C1C(F)(F)F
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MassMS-NW-6386 2-(trifluoromethyl)benzyl alcohol C8H7F3O (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.7 20.0 1.6 26.0 1.0 27.0 3.6 28.0 3.7 29.0 7.2 30.0 1.6 31.0 11.6 37.0 2.1 38.0 3.8 39.0 8.1 49.0 1.4 50.0 11.4 51.0 14.7 52.0 2.4 53.0 1.4 57.0 4.9 61.0 1.8 62.0 4.3 63.0 7.7 64.0 1.4 68.0 1.0 69.0 5.1 70.0 1.1 74.0 4.4 75.0 11.0 76.0 4.0 77.0 24.9 78.0 6.9 79.0 51.0 80.0 3.4 81.0 2.5 83.0 5.1 86.0 1.1 87.0 1.8 88.0 1.5 89.0 4.2 90.0 2.7 95.0 5.5 96.0 5.8 99.0 3.3 100.0 1.4 101.0 5.8 105.0 2.7 107.0 93.8 108.0 10.0 109.0 16.6 110.0 1.4 114.0 1.1 119.0 3.4 125.0 6.9 126.0 9.7 127.0 100.0 128.0 12.4 137.0 13.9 138.0 3.3 139.0 1.3 140.0 1.4 145.0 12.7 146.0 4.8 147.0 14.7 148.0 2.2 155.0 22.9 156.0 5.0 157.0 1.4 158.0 3.7 159.0 9.0 160.0 1.1 173.0 3.4 175.0 13.5 176.0 79.3 177.0 7.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 F3 O 0.05 ml : 0.5 ml CDCl3 2-(trifluoromethyl)benzyl alcohol 
Assign. Shift(ppm)
A 7.632 B 7.594 C 7.500 D 7.334 E 4.789 F 3.06 ASSIGNED BY C-H COSY.
Hz ppm Int.3063.35 7.666 24 3062.62 7.664 24 3062.13 7.663 24 3054.32 7.643 270 3046.51 7.623 348 3039.06 7.605 312 3031.25 7.585 345 3004.03 7.517 180 2996.34 7.498 316 2988.89 7.479 164 2937.62 7.351 191 2929.81 7.331 292 2922.24 7.312 133 1929.93 4.830 22 1914.18 4.790 1000 1222.53 3.060 171
in CDCl3
liquid film
4880 A,200 M,liquid
