4-(Trifluoromethyl)phenylacetic acid(32857-62-8) MS
Product Name4-(Trifluoromethyl)phenylacetic acid
CAS32857-62-8
Molecular FormulaC9H7F3O2
Molecular Weight204.15
InChIInChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey HNORVZDAANCHAY-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=C(C(F)(F)F)C=C1
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MassMS-NW-8979 p-(trifluoromethyl)phenylacetic acid C9H7F3O2 (Mass of molecular ion: 204)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 2.5 45.0 2.2 50.0 1.1 51.0 2.2 57.0 1.3 62.0 1.5 63.0 4.8 64.0 1.1 65.0 1.3 75.0 1.8 77.0 1.2 83.0 2.5 87.0 1.0 88.0 1.1 89.0 5.1 90.0 2.4 91.0 38.5 92.0 3.1 99.0 1.3 107.0 2.4 108.0 1.4 109.0 21.7 110.0 1.7 113.0 1.5 114.0 1.4 119.0 7.2 120.0 1.0 127.0 1.9 138.0 1.7 139.0 3.1 140.0 5.2 141.0 1.1 143.0 1.1 158.0 4.0 159.0 100.0 160.0 23.3 161.0 1.8 185.0 8.6 186.0 2.1 204.0 43.0 205.0 4.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9H7F3O2 0.039 g : 0.5 ml CDCl3 p-(trifluoromethyl)phenylacetic acid 
Assign. Shift(ppm)
A 10.5 B 7.587 C 7.397 D 3.708
Hz ppm Int.4212.80 10.538 13 3037.27 7.598 434 3029.33 7.578 515 2960.82 7.407 476 2952.73 7.386 392 1546.33 3.868 8 1482.09 3.708 1000 1416.48 3.544 7
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
