3-(Trifluoromethyl)benzyl alcohol(349-75-7) MS
Product Name3-(Trifluoromethyl)benzyl alcohol
CAS349-75-7
Molecular FormulaC8H7F3O
Molecular Weight176.14
InChIInChI=1S/C8H7F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKey BXEHKCUWIODEDE-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC(C(F)(F)F)=C1
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MassMS-IW-3654 m-(trifluoromethyl)benzyl alcohol C8H7F3O (Mass of molecular ion: 176)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.7 29.0 5.8 31.0 6.0 38.0 2.1 39.0 5.0 50.0 8.6 51.0 10.9 52.0 2.1 53.0 1.2 57.0 3.3 61.0 1.3 62.0 3.3 63.0 6.2 64.0 1.1 69.0 5.9 70.0 1.0 74.0 4.3 75.0 11.0 76.0 3.1 77.0 22.9 78.0 9.2 79.0 41.2 80.0 3.0 81.0 1.8 83.0 2.2 87.0 1.8 88.0 1.5 89.0 4.0 90.0 1.4 95.0 7.2 96.0 4.9 99.0 3.0 100.0 1.0 101.0 2.4 105.0 1.6 107.0 83.7 108.0 8.1 109.0 9.1 114.0 1.3 119.0 4.8 125.0 5.6 126.0 4.7 127.0 100.0 128.0 11.1 137.0 1.1 138.0 2.3 139.0 1.6 140.0 1.2 145.0 22.9 146.0 4.7 147.0 17.4 148.0 2.0 155.0 6.3 156.0 2.4 157.0 25.6 158.0 7.5 159.0 14.8 160.0 1.4 173.0 8.3 174.0 2.2 175.0 31.1 176.0 99.9 177.0 8.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 F3 O 0.05 ml : 0.5 ml CDCl3 m-(trifluoromethyl)benzyl alcohol 
Assign. Shift(ppm)
A 7.550 B 7.494 C 7.42 D 7.40 E 4.601 F 3.6
Hz ppm Int.3017.21 7.550 337 2999.27 7.505 148 2991.94 7.487 217 2971.56 7.436 94 2963.87 7.417 317 2960.57 7.408 343 2953.37 7.390 242 2945.68 7.371 79 1838.87 4.602 1000 1416.75 3.545 36
in CDCl3
liquid film
