59662-27-0

p-Heptanoylbiphenyl(59662-27-0) IR2

Product Namep-Heptanoylbiphenyl

CAS 59662-27-0

Molecular FormulaC19H22O

Molecular Weight266.38

InChIInChI=1S/C19H22O/c1-2-3-4-8-11-19(20)18-14-12-17(13-15-18)16-9-6-5-7-10-16/h5-7,9-10,12-15H,2-4,8,11H2,1H3

InChIKey YCPKHSFFVZYFMP-UHFFFAOYSA-N

SmilesC(C1=CC=C(C2=CC=CC=C2)C=C1)(=O)CCCCCC

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p-Heptanoylbiphenyl(59662-27-0) IR2
Mass

MS-IW-1313          
4-heptanoylbiphenyl
C19H22O             (Mass of molecular ion:    266)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      41.0       1.7
      43.0       1.4
      55.0       2.1
      76.0       2.5
      77.0       1.3
     126.0       1.0
     127.0       2.1
     150.0       1.1
     151.0       6.1
     152.0      29.6
     153.0      23.7
     154.0       5.5
     165.0       2.1
     167.0       4.7
     168.0       1.0
     178.0       2.7
     179.0       1.3
     180.0       2.3
     181.0      88.8
     182.0      12.8
     183.0       1.7
     191.0       1.0
     193.0       3.3
     196.0     100.0
     197.0      15.6
     198.0       1.3
     205.0       1.3
     209.0       6.7
     210.0       1.3
     248.0       1.0
     250.0       2.4
     266.0      17.4
     267.0       3.8

400 MHz in CDCl3

p-Heptanoylbiphenyl(59662-27-0) IR2

¹H NMR	399.65 MHz
C₁₉ H₂₂ O	0.032 g : 0.5 ml CDCl₃
4-heptanoylbiphenyl

    Assign.     Shift(ppm)

      A             8.027
      B             7.671
      C             7.621
      D             7.463
      E             7.396
      F             2.983
      G             1.753
      J             1.39
      K             1.33
      L             0.900

     Hz     ppm     Int.

   3215.58   8.046    122
   3213.62   8.042    759
   3211.67   8.037    244
   3207.03   8.025    270
   3205.08   8.020    782
   3203.25   8.016    141
   3072.75   7.689    147
   3070.80   7.684    866
   3068.97   7.680    264
   3064.21   7.668    267
   3062.26   7.663    711
   3060.42   7.658    129
   3051.27   7.635    384
   3049.80   7.632    565
   3047.85   7.627    153
   3044.19   7.618    296
   3042.85   7.614    607
   3039.55   7.606     90
   2991.46   7.486    190
   2990.48   7.483    295
   2988.65   7.479    113
   2983.28   7.465    656
   2981.81   7.462    314
   2977.05   7.450    193
   2975.59   7.446    396
   2973.51   7.441     75
   2962.52   7.413    159
   2961.18   7.410    284
   2959.84   7.407    155
   2956.18   7.397    106
   2953.98   7.392    316
   2951.54   7.386     79
   2947.88   7.377     69
   2946.53   7.373    107
   2945.31   7.370     57
   1199.95   3.003    454
   1192.63   2.985    640
   1189.09   2.976     67
   1185.06   2.966    495
    716.43   1.793     76
    709.23   1.775    205
    701.66   1.756    314
    698.00   1.747     82
    694.46   1.738    226
    686.77   1.719    112
    573.73   1.436     43
    566.89   1.419    127
    565.31   1.415    121
    560.42   1.403    176
    559.81   1.401    175
    557.98   1.397    169
    554.57   1.388    140
    552.98   1.384    153
    551.27   1.380    174
    548.71   1.373    119
    547.73   1.371    118
    545.90   1.366    151
    544.80   1.364    141
    541.02   1.354    224
    537.35   1.345    555
    534.42   1.338    480
    530.52   1.328    479
    526.49   1.318    293
    523.07   1.309    145
    366.58   0.918    346
    364.50   0.913    204
    363.16   0.909    242
    359.50   0.900   1000
    353.76   0.886    203
    352.42   0.882    286
    349.73   0.876     62

in CDCl3

KBr disc

nujol mull

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