2,2-DIPHENYLPROPIONIC ACID(5558-66-7) MS
Product Name2,2-DIPHENYLPROPIONIC ACID
CAS5558-66-7
Molecular FormulaC15H14O2
Molecular Weight226.27
InChIInChI=1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKey ODELFXJUOVNEFZ-UHFFFAOYSA-N
SmilesC(C)(C(=O)O)(C1C=CC=CC=1)C1C=CC=CC=1
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MassMS-NW-6571 2,2-diphenylpropionic acid C15H14O2 (Mass of molecular ion: 226)
Source Temperature: 170 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 6.3 18.0 29.8 28.0 1.6 39.0 2.1 43.0 1.0 50.0 1.4 51.0 5.3 63.0 2.0 69.0 1.3 75.0 1.1 76.0 3.2 77.0 13.2 78.0 1.8 82.0 2.2 82.5 2.5 83.0 4.3 89.0 4.4 89.5 1.6 90.0 1.4 102.0 1.7 103.0 24.7 104.0 2.7 105.0 1.5 115.0 1.7 139.0 1.1 152.0 2.4 153.0 1.8 164.0 1.0 165.0 14.7 166.0 12.6 167.0 5.9 178.0 4.2 179.0 5.3 180.0 3.1 181.0 100.0 182.0 16.0 183.0 1.4 226.0 18.1 227.0 3.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C15 H14 O2 0.049 g : 0.5 ml CDCl3 2,2-diphenylpropionic acid 
Assign. Shift(ppm)
A 11. B 7.39 to 7.15 C 1.921
Hz ppm Int.651.12 7.271 1000 172.01 1.921 206
in CDCl3
KBr disc
nujol mull
