4-(Trifluoromethyl)benzyl alcohol(349-95-1) MS
Product Name4-(Trifluoromethyl)benzyl alcohol
CAS349-95-1
Molecular FormulaC8H7F3O
Molecular Weight176.14
InChIInChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKey MOOUWXDQAUXZRG-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(C(F)(F)F)C=C1
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MassMS-IW-2198 4-(trifluoromethyl)benzyl alcohol C8H7F3O (Mass of molecular ion: 176)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 2.0 28.0 1.1 29.0 7.5 31.0 6.2 38.0 2.0 39.0 4.8 50.0 7.7 51.0 10.6 52.0 2.1 53.0 1.3 57.0 3.0 61.0 1.0 62.0 2.8 63.0 5.6 64.0 1.0 69.0 5.9 74.0 3.5 75.0 9.5 76.0 2.6 77.0 24.8 78.0 8.3 79.0 54.1 80.0 3.8 81.0 1.6 83.0 2.1 87.0 1.3 88.0 1.3 89.0 3.7 90.0 1.4 95.0 6.6 96.0 4.4 99.0 2.3 101.0 2.0 105.0 1.6 107.0 100.0 108.0 9.2 109.0 9.8 114.0 1.3 119.0 3.7 125.0 4.9 126.0 3.8 127.0 83.9 128.0 8.8 129.0 2.2 138.0 1.7 139.0 1.3 140.0 1.5 145.0 19.9 146.0 3.8 147.0 12.6 148.0 1.4 155.0 3.2 156.0 2.3 157.0 17.9 158.0 5.3 159.0 10.4 160.0 1.2 173.0 5.2 174.0 1.0 175.0 18.1 176.0 83.7 177.0 7.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 F3 O 0.05 ml : 0.5 ml CDCl3 4-(trifluoromethyl)benzyl alcohol 
Assign. Shift(ppm)
A 7.535 B 7.343 C 4.604 D 3.68
Hz ppm Int.3015.75 7.546 840 3007.69 7.526 971 2939.70 7.356 827 2939.09 7.355 927 2931.15 7.335 773 2930.42 7.333 727 1840.21 4.605 1000 1472.41 3.685 309
in CDCl3
liquid film
4880 A,200 M,liquid
