4-Biphenylacetic acid(5728-52-9) Raman
Product Name4-Biphenylacetic acid
CAS5728-52-9
Molecular FormulaC14H12O2
Molecular Weight212.24
InChIInChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey QRZAKQDHEVVFRX-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(CC(O)=O)C=C1
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MassMS-NW-8045 (4-biphenylyl)acetic acid C14H12O2 (Mass of molecular ion: 212)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.6 39.0 1.7 51.0 1.5 63.0 2.2 65.0 1.1 69.5 1.1 76.0 1.1 77.0 1.4 82.0 1.8 82.5 2.3 83.0 1.6 83.5 1.7 89.0 1.4 115.0 3.2 128.0 2.2 139.0 2.1 141.0 1.0 151.0 1.2 152.0 9.4 153.0 1.8 163.0 1.4 164.0 2.0 165.0 20.4 166.0 5.7 167.0 100.0 168.0 15.5 169.0 1.1 212.0 52.6 213.0 8.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H12 O2 0.033 g : 0.5 ml DMSO-d6 (4-biphenylyl)acetic acid 
Assign. Shift(ppm)
A 12.4 B 7.653 C 7.610 D 7.458 E 7.36 F 7.35 G 3.632
Hz ppm Int.4955.55 12.400 62 3063.80 7.667 310 3062.52 7.664 418 3060.60 7.659 157 3055.47 7.646 460 3054.40 7.643 446 3047.78 7.627 86 3045.85 7.622 495 3044.14 7.618 240 3039.44 7.606 202 3037.52 7.601 628 2988.80 7.479 247 2987.09 7.475 114 2981.53 7.461 489 2975.34 7.445 129 2973.63 7.441 297 2947.13 7.375 682 2938.58 7.353 564 2933.67 7.341 80 2932.60 7.338 111 2931.32 7.335 77 1451.56 3.633 1000
in DMSO-d6
KBr disc
nujol mull
