1135-67-7

1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID(1135-67-7) MS

Product Name1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID

CAS 1135-67-7

Molecular FormulaC13H16O2

Molecular Weight204.26

InChIInChI=1S/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)

InChIKey QXXHHHWXFHPNOS-UHFFFAOYSA-N

SmilesC1(C2=CC=CC=C2)(C(O)=O)CCCCC1

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1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID(1135-67-7) MS
Mass

MS-NW-6737          
1-phenyl-1-cyclohexanecarboxylic acid
C13H16O2            (Mass of molecular ion:    204)

   Source Temperature: 190 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       3.8
      29.0       2.7
      39.0       6.2
      41.0       5.4
      43.0       1.2
      45.0       1.2
      50.0       2.0
      51.0       5.9
      52.0       1.5
      53.0       3.0
      55.0       7.4
      63.0       2.8
      64.0       1.1
      65.0       3.9
      67.0       7.4
      75.0       1.1
      76.0       1.4
      77.0       9.4
      78.0       3.2
      79.0       3.8
      81.0      18.6
      82.0       1.3
      89.0       1.9
      91.0      97.4
      92.0       8.6
     102.0       2.3
     103.0       9.7
     104.0       3.4
     105.0       3.8
     115.0      10.4
     116.0       2.9
     117.0      13.9
     118.0       2.3
     127.0       1.6
     128.0       4.1
     129.0       5.8
     130.0       3.0
     131.0       1.6
     143.0       1.6
     148.0       2.4
     149.0       1.0
     158.0       2.8
     159.0     100.0
     160.0      13.7
     161.0       1.0
     204.0      20.4
     205.0       3.0

400 MHz in DMSO-d6

1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID(1135-67-7) MS

¹H NMR	399.65 MHz
C₁₃ H₁₆ O₂	0.030 g : 0.5 ml DMSO-d₆
1-phenyl-1-cyclohexanecarboxylic acid

    Assign.     Shift(ppm)

      A            12.3
      B             7.389
      C             7.333
      D             7.230
      E             2.337
      F             1.61
      G             1.43
      J             1.240

     Hz     ppm     Int.

   4935.60  12.350    174
   2959.60   7.406    449
   2958.14   7.402    591
   2956.12   7.397    205
   2951.91   7.387    563
   2951.00   7.384   1000
   2950.08   7.382    907
   2947.70   7.376    167
   2937.99   7.352    643
   2935.79   7.346    201
   2930.66   7.334    874
   2929.02   7.329    414
   2924.25   7.318    228
   2922.60   7.313    445
   2920.59   7.308     80
   2896.59   7.248    212
   2895.31   7.245    369
   2893.85   7.241    208
   2890.00   7.232    184
   2888.17   7.227    440
   2886.15   7.222    144
   2882.31   7.213    119
   2881.03   7.209    188
   2879.56   7.206    106
    942.94   2.360    265
    930.30   2.328    275
    929.94   2.327    275
    659.22   1.650    267
    654.27   1.638    254
    649.69   1.626    505
    648.78   1.624    507
    637.79   1.596    531
    628.81   1.574    137
    628.44   1.573    137
    627.53   1.571    140
    627.16   1.570    141
    626.80   1.569    140
    625.15   1.565    131
    624.78   1.564    132
    624.41   1.563    133
    623.68   1.561    135
    620.02   1.552     98
    590.53   1.478    126
    578.26   1.447    236
    565.43   1.415    218
    553.71   1.386     71

in DMSO-d6