4-ACETOXYBIPHENYL(148-86-7) ¹³C NMR

Product Name4-ACETOXYBIPHENYL

CAS 148-86-7

Molecular FormulaC14H12O2

Molecular Weight212.24

InChIInChI=1S/C14H12O2/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3

InChIKey MISFQCBPASYYGV-UHFFFAOYSA-N

SmilesC1(C2=CC=CC=C2)=CC=C(OC(=O)C)C=C1

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Mass

MS-NW-8012          
4-biphenylyl acetate
C14H12O2            (Mass of molecular ion:    212)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       3.0
      17.0       1.2
      18.0       5.2
      39.0       2.2
      43.0       8.6
      51.0       1.8
      55.0       1.7
      62.0       1.1
      63.0       2.7
      65.0       1.3
      75.0       1.1
      76.0       1.1
      77.0       1.4
      89.0       2.0
      91.0       1.0
     102.0       1.2
     113.0       1.2
     114.0       1.0
     115.0      12.5
     116.0       1.6
     139.0       4.3
     140.0       1.6
     141.0      11.5
     142.0       2.0
     152.0       2.0
     153.0       1.1
     168.0       1.1
     169.0       4.8
     170.0     100.0
     171.0      12.5
     172.0       1.2
     212.0       9.6
     213.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₂ O₂	0.031 g : 0.5 ml CDCl₃
4-biphenylyl acetate

    Assign.     Shift(ppm)

      A             7.58
      B             7.55
      C             7.421
      D             7.338
      E             7.152
      F             2.308

     Hz     ppm     Int.

   3032.84   7.589    228
   3030.64   7.584     75
   3026.12   7.572     84
   3023.93   7.567    279
   3022.95   7.564    126
   3021.48   7.561    159
   3019.41   7.556     41
   3015.38   7.546     78
   3014.53   7.543    160
   3013.79   7.542    130
   3013.18   7.540    137
   2974.37   7.443     61
   2973.51   7.441     89
   2971.68   7.436     46
   2966.19   7.422    177
   2964.84   7.419     78
   2959.96   7.407     53
   2958.50   7.403     96
   2939.70   7.356     42
   2938.35   7.353     76
   2937.01   7.349     40
   2933.11   7.340     31
   2931.03   7.334     80
   2923.71   7.316     34
   2865.36   7.170     31
   2862.67   7.163    260
   2860.47   7.158     77
   2855.96   7.147     74
   2853.88   7.141    230
    922.49   2.309   1000

in CDCl3