Product Name3,5-Bis(trifluoromethyl)phenylacetic acid
CAS85068-33-3
Molecular FormulaC10H6F6O2
Molecular Weight272.14
InChI
InChIKey
Smiles
Mass
MS-KW-0232 3,5-bis(trifluoromethyl)phenylacetic acid C10H6F6O2 (Mass of molecular ion: 272)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.4 20.0 1.5 28.0 3.4 39.0 1.7 43.0 1.7 44.0 1.9 45.0 7.0 50.0 1.1 51.0 1.7 57.0 1.8 62.0 2.1 63.0 3.2 69.0 4.0 75.0 3.5 81.0 1.5 87.0 2.5 88.0 2.0 89.0 1.7 99.0 1.7 104.0 1.3 107.0 2.8 108.0 1.5 109.0 3.0 113.0 1.1 119.0 2.4 125.0 1.2 126.0 1.1 127.0 4.0 132.0 2.3 137.0 3.1 138.0 5.9 139.0 3.1 145.0 1.4 156.0 2.2 157.0 4.6 158.0 8.6 159.0 53.1 160.0 4.7 163.0 1.5 176.0 4.2 177.0 13.5 178.0 1.3 187.0 8.2 188.0 1.1 195.0 2.3 205.0 2.1 206.0 1.0 207.0 4.7 208.0 12.8 209.0 1.6 213.0 1.0 225.0 2.3 226.0 8.2 227.0 100.0 228.0 36.3 229.0 3.1 235.0 1.6 253.0 19.9 254.0 7.8 255.0 1.0 272.0 27.7 273.0 3.1
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C10H6F6O2 | 0.042 g : 0.5 ml DMSO-d6 |
3,5-bis(trifluoromethy)phenylacetic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
3212.29 8.036 637 3187.38 7.973 281 1564.58 3.914 1000
in DMSO-d6
KBr disk
Nujol
3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3) IR1 Atlas of Related Products
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