Product Name2,2-Diphenylacetic acid
CAS117-34-0
Molecular FormulaC14H12O2
Molecular Weight212.24
InChIInChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKey PYHXGXCGESYPCW-UHFFFAOYSA-N
SmilesC(C(=O)O)(C1C=CC=CC=1)C1C=CC=CC=1
Mass
MS-NW-6886 diphenylacetic acid C14H12O2 (Mass of molecular ion: 212)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.4 39.0 2.6 50.0 1.3 51.0 3.1 63.0 2.7 65.0 1.4 69.5 1.1 76.0 1.2 77.0 2.6 82.0 2.6 82.5 3.7 83.0 3.5 89.0 1.9 91.0 1.5 115.0 2.9 128.0 1.9 139.0 2.3 141.0 1.0 151.0 1.3 152.0 13.7 153.0 2.9 163.0 1.7 164.0 2.5 165.0 27.5 166.0 11.1 167.0 100.0 168.0 18.8 169.0 1.7 212.0 16.8 213.0 2.8
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C14 H12 O2 | 0.033 g : 0.5 ml CDCl3 |
diphenylacetic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
2931.76 7.336 99 2926.63 7.323 1000 2923.34 7.315 898 2922.24 7.312 932 2916.56 7.298 85 2914.36 7.293 112 2913.45 7.291 143 2909.42 7.280 170 2906.30 7.273 160 2905.20 7.270 162 2903.19 7.265 114 2902.09 7.262 96 2900.99 7.259 178 2898.43 7.253 83 2896.59 7.248 82 2895.13 7.245 49 2892.38 7.238 38 2013.92 5.040 404
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
2,2-Diphenylacetic acid(117-34-0) 13C NMR Atlas of Related Products
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