3,3-Diphenylpropionic acid(606-83-7) MS
Product Name3,3-Diphenylpropionic acid
CAS606-83-7
Molecular FormulaC15H14O2
Molecular Weight226.27
InChIInChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)
InChIKey BZQGAPWJKAYCHR-UHFFFAOYSA-N
SmilesC(CC(=O)O)(C1C=CC=CC=1)C1=CC=CC=C1
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MassMS-NW-6426 3,3-diphenylpropionic acid C15H14O2 (Mass of molecular ion: 226)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 4.4 27.0 1.0 28.0 1.0 39.0 2.1 50.0 1.4 51.0 4.2 63.0 1.9 65.0 1.0 76.0 2.0 77.0 7.0 78.0 1.9 79.0 1.4 82.0 1.3 82.5 2.3 83.0 2.2 89.0 3.1 90.0 1.3 91.0 1.4 102.0 1.5 103.0 5.9 104.0 1.9 115.0 1.9 128.0 1.2 139.0 1.2 151.0 1.2 152.0 9.9 153.0 1.6 164.0 1.2 165.0 20.0 166.0 9.0 167.0 100.0 168.0 14.7 169.0 1.0 178.0 3.0 179.0 3.8 180.0 11.5 181.0 2.6 208.0 1.0 226.0 37.2 227.0 6.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C15 H14 O2 0.040 g : 0.5 ml CDCl3 3,3-diphenylpropionic acid 
Assign. Shift(ppm)
A 10.99 B 7.41 to 6.99 C 4.496 D 3.049
Hz ppm Int.984.46 10.993 42 658.81 7.357 23 657.87 7.346 22 653.17 7.294 26 650.10 7.259 61 648.13 7.237 147 645.91 7.213 1000 638.82 7.133 37 633.69 7.076 22 632.32 7.061 22 411.27 4.593 27 403.32 4.504 63 395.46 4.416 35 276.94 3.093 168 269.08 3.005 150
in CDCl3
KBr disc
nujol mull
