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
Mass
MS-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
1H NMR | 399.65 MHz |
C8 H7 F3 O | 0.05 ml : 0.5 ml CDCl3 |
4-(trifluoromethyl)benzyl alcohol |
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Assign. Shift(ppm) |
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
4-(Trifluoromethyl)benzyl alcohol(349-95-1) MS Atlas of Related Products
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