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77-55-4

1-苯基环戊烷羧酸(77-55-4)Raman光谱

产品名称:1-苯基环戊烷羧酸

CAS:77-55-4

分子式:C12H14O2

分子量: 190.24

InChI:InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)

InChIKey: RHPCYZLXNNRRMB-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)(C(O)=O)CCCC1

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    Mass

    MS-NW-8057          
    1-phenyl-1-cyclopentanecarboxylic acid
    C12H14O2            (Mass of molecular ion:    190)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       1.1
          39.0       3.6
          41.0       5.1
          50.0       1.0
          51.0       3.3
          63.0       1.6
          65.0       2.9
          67.0      12.7
          68.0       1.0
          77.0       5.2
          78.0       1.9
          89.0       1.2
          91.0      61.0
          92.0       4.9
         102.0       1.2
         103.0       7.1
         104.0       2.1
         105.0       1.4
         115.0       7.2
         116.0       2.2
         117.0       4.7
         118.0       1.7
         128.0       3.4
         129.0       2.1
         130.0       1.0
         143.0       1.6
         144.0       1.6
         145.0     100.0
         146.0      12.4
         148.0       1.4
         190.0      16.8
         191.0       2.3
    

in CDCl3

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H14 O2 saturated in CDCl3
    1-phenyl-1-cyclopentanecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.389 B 7.309 C 7.242 D 2.652 E 1.912 F 1.73

         Hz     ppm     Int.
    

       2959.59   7.406    454
       2958.13   7.402    699
       2956.05   7.397    204
       2952.27   7.388    412
       2951.05   7.385    835
       2949.95   7.382    834
       2947.63   7.376    144
       2929.20   7.330    287
       2928.22   7.327    509
       2926.27   7.323    179
       2923.34   7.315    154
       2921.02   7.309   1000
       2919.56   7.306    444
       2914.92   7.294    242
       2913.33   7.290    508
       2911.13   7.285     94
       2900.88   7.259    223
       2899.41   7.255    424
       2898.07   7.252    244
       2894.53   7.243    264
       2892.21   7.237    489
       2889.89   7.232    123
       2886.35   7.223     96
       2885.01   7.219    164
       2883.67   7.216     88
       1072.51   2.684    121
       1067.38   2.671    267
       1064.33   2.664    179
       1061.40   2.656    191
       1054.57   2.639    299
       1050.90   2.630    164
       1048.71   2.625    135
        710.94   1.779     31
        706.05   1.767     84
        699.10   1.750    404
        696.29   1.743    524
        694.70   1.739    510
        693.36   1.735    840
        692.02   1.732    773
        689.33   1.725    500
        687.99   1.722    535
        684.94   1.714    392
        678.10   1.697     55
    

in CDCl3

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KBr disc

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nujol mull

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