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

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

¹H NMR	399.65 MHz
C₁₂ H₁₄ O₂	saturated in CDCl₃
1-phenyl-1-cyclopentanecarboxylic acid

    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