88038-94-2

對丙基聯(lián)苯甲酸(88038-94-2)質(zhì)譜(MS)

產(chǎn)品名稱:對丙基聯(lián)苯甲酸

CAS:88038-94-2

分子式:C16H16O2

分子量: 240.3

InChI:InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)

InChIKey: HCPBURTZSXRGBN-UHFFFAOYSA-N

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

Mass

MS-NW-9422          
p-(p-propylphenyl)benzoic acid
C16H16O2            (Mass of molecular ion:    240)

   Source Temperature: 220 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.7
      39.0       1.2
      63.0       1.3
      76.0       1.3
      77.0       1.2
      82.0       1.6
      82.5       1.0
      89.0       1.2
      97.0       1.1
     115.0       2.4
     128.0       1.1
     139.0       1.7
     151.0       1.7
     152.0       8.2
     153.0       2.3
     163.0       1.2
     164.0       2.0
     165.0      18.9
     166.0       7.4
     167.0       2.1
     178.0       1.8
     179.0       2.3
     211.0     100.0
     212.0      15.6
     213.0       1.5
     240.0      42.3
     241.0       7.6

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₆ H₁₆ O₂	0.042 g : 0.5 ml DMSO-d₆
p-(p-propylphenyl)benzoic acid

    Assign.     Shift(ppm)

      A            13.0
      B             8.035
      C             7.788
      D             7.640
      E             7.306
      F             2.604
      G             1.612
      J             0.920

     Hz     ppm     Int.

   1164.16  12.999     46
    730.27   8.154     34
    725.68   8.103    407
    717.19   8.008    829
    710.74   7.936     55
    709.47   7.922     55
    709.08   7.918     57
    708.59   7.912     53
    707.42   7.899     49
    706.54   7.890     51
    705.96   7.883     54
    700.68   7.824    797
    692.19   7.729    460
    689.36   7.698    479
    681.05   7.605    721
    674.32   7.530     52
    673.24   7.518     43
    671.39   7.497     34
    670.70   7.489     32
    657.62   7.343    635
    649.41   7.252    405
    643.65   7.187     38
    643.07   7.181     35
    642.48   7.174     32
    240.23   2.683    212
    233.30   2.605    392
    226.46   2.529    504
    218.26   2.438     44
    216.50   2.418     35
    215.72   2.409     31
    163.48   1.826     43
    162.01   1.809     33
    156.05   1.743    145
    148.54   1.659    229
    142.29   1.589    219
    140.72   1.572    248
    137.89   1.540     76
    133.79   1.494    171
    130.57   1.458     41
    129.49   1.446     34
    127.15   1.420     57
     93.95   1.050     37
     88.67   0.991    573
     81.74   0.913   1000
     74.32   0.830    343

in DMSO-d6