苯佐卡因(94-09-7)質(zhì)譜(MS)

產(chǎn)品名稱:苯佐卡因

CAS:94-09-7

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

InChIKey: BLFLLBZGZJTVJG-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=C(N)C=C1

Mass

MS-NW-3786          
ethyl p-aminobenzoate
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       2.9
      28.0       1.2
      29.0       2.4
      38.0       1.6
      39.0       6.1
      41.0       1.8
      45.0       1.5
      52.0       1.7
      60.0       1.0
      63.0       2.7
      64.0       2.4
      65.0      17.2
      66.0       2.6
      91.0       2.3
      92.0      21.7
      93.0       4.4
     108.0       1.5
     120.0     100.0
     121.0      11.4
     137.0      14.5
     138.0       1.2
     150.0       1.4
     165.0      42.8
     166.0       4.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₁ N O₂	0.043 g : 0.5 ml CDCl₃
ethyl p-aminobenzoate

    Assign.     Shift(ppm)

      A             7.849
      B             6.626
      C             4.305
      D             4.1
      E             1.354

     Hz     ppm     Int.

    709.94   7.927     72
    707.50   7.900    350
    705.56   7.879    117
    703.06   7.851     46
    702.75   7.847     47
    700.81   7.826    153
    700.69   7.824    153
    698.75   7.803    384
    696.25   7.775     54
    599.81   6.698     82
    597.38   6.671    500
    595.31   6.648    146
    592.38   6.615     43
    592.00   6.611     44
    590.63   6.595    154
    588.56   6.572    401
    586.06   6.544     59
    396.88   4.432    136
    393.75   4.397     41
    389.63   4.351    431
    387.19   4.324     45
    386.75   4.319     47
    386.19   4.313     49
    382.50   4.271    450
    380.63   4.251     42
    379.88   4.242     41
    379.06   4.233     42
    375.50   4.193    182
    369.00   4.121    105
    128.13   1.431    468
    125.88   1.406     50
    125.50   1.402     46
    124.63   1.392     52
    124.13   1.386     57
    121.06   1.352   1000
    119.00   1.329     63
    118.63   1.325     62
    118.19   1.320     53
    116.38   1.300     51
    113.94   1.273    416

in CDCl3