4-Acetylbiphenyl(92-91-1) 13C NMR
Product Name4-Acetylbiphenyl
CAS92-91-1
Molecular FormulaC14H12O
Molecular Weight196.24
InChIInChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey QCZZSANNLWPGEA-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)C
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MassMS-NW-9801 4-acetylbiphenyl C14H12O (Mass of molecular ion: 196)
Source Temperature: 140 °C Sample Temperature: 90 °C Direct, 75 eV
43.0 4.4 51.0 2.0 63.0 2.8 75.0 2.0 75.5 2.3 76.0 11.4 76.5 4.3 77.0 2.8 84.0 2.3 90.5 4.7 102.0 1.0 126.0 1.9 127.0 2.8 150.0 2.3 151.0 9.0 152.0 36.4 153.0 35.5 154.0 5.3 165.0 1.1 181.0 100.0 182.0 14.3 183.0 1.1 196.0 59.9 197.0 9.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H12 O 0.042 g : 0.5 ml CDCl3 4-acetylbiphenyl 
Assign. Shift(ppm)
A 8.004 B 7.67 C 7.57 D 7.44 E 7.39 F 2.611
Hz ppm Int.722.25 8.065 104 721.69 8.059 72 720.31 8.043 36 715.69 7.992 43 713.56 7.968 179 711.88 7.949 33 691.75 7.724 31 690.00 7.705 177 687.81 7.680 57 684.88 7.648 32 683.44 7.632 60 681.94 7.615 91 681.31 7.608 127 679.06 7.583 89 677.38 7.564 114 672.38 7.508 53 671.00 7.493 32 668.88 7.469 86 668.25 7.462 91 666.19 7.439 83 663.06 7.404 111 661.06 7.382 126 233.88 2.612 1000
in CDCl3
KBr disc
nujol mull
