2-(Trifluoromethyl)phenylacetic acid(3038-48-0) Raman
Product Name2-(Trifluoromethyl)phenylacetic acid
CAS3038-48-0
Molecular FormulaC9H7F3O2
Molecular Weight204.15
InChIInChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey TYOCDHCKTWANIR-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=CC=C1C(F)(F)F
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MassMS-IW-0792 o-(trifluoromethyl)phenylacetic acid C9H7F3O2 (Mass of molecular ion: 204)
Source Temperature: 110 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 2.1 28.0 1.3 39.0 3.0 45.0 2.1 50.0 1.6 51.0 2.5 57.0 1.5 62.0 1.9 63.0 4.9 65.0 1.4 69.0 1.4 75.0 2.0 77.0 1.3 79.0 3.0 83.0 3.3 87.0 1.0 88.0 1.4 89.0 4.9 90.0 2.0 91.0 39.1 92.0 3.4 99.0 2.1 101.0 1.0 107.0 3.1 108.0 1.9 109.0 28.7 110.0 2.3 113.0 1.2 114.0 2.5 119.0 8.3 120.0 1.7 127.0 2.6 137.0 11.2 138.0 2.8 139.0 5.0 140.0 53.0 141.0 4.8 142.0 1.1 157.0 1.1 158.0 2.6 159.0 100.0 160.0 15.2 187.0 1.0 204.0 89.8 205.0 9.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H7 F3 O2 0.035 g : 0.5 ml CDCl3 o-(trifluoromethyl)phenylacetic acid 
Assign. Shift(ppm)
A 10. B 7.660 C 7.515 D 7.40 E 7.375 F 3.862
Hz ppm Int.3065.95 7.672 290 3058.17 7.653 324 3012.54 7.538 118 3011.93 7.537 116 3005.07 7.520 299 2997.44 7.501 209 2963.10 7.415 194 2955.47 7.396 307 2950.74 7.384 370 2948.00 7.377 163 2943.12 7.365 278 1544.19 3.864 1000 1543.12 3.862 984
in CDCl3
KBr disc
nujol mull
