N-苯甲酰-DL-丙氨酸(1205-02-3)質(zhì)譜(MS)

產(chǎn)品名稱:N-苯甲酰-DL-丙氨酸

CAS:1205-02-3

分子式:C10H11NO3

分子量: 193.2

InChI:InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1

InChIKey: UAQVHNZEONHPQG-ZETCQYMHSA-N

Smiles:C(O)(=O)[C@H](C)NC(=O)C1=CC=CC=C1

Mass

MS-NW-8504          
N-benzoyl-DL-alanine
C10H11NO3           (Mass of molecular ion:    193)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.8
      27.0       1.8
      28.0       2.1
      42.0       2.6
      44.0       1.9
      45.0       1.0
      50.0       3.8
      51.0      13.2
      52.0       1.1
      71.0       1.2
      74.0       1.5
      76.0       2.1
      77.0      38.5
      78.0       3.3
     105.0     100.0
     106.0       8.3
     148.0      33.4
     149.0      10.4
     175.0       1.2
     193.0       4.7

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₀ H₁₁ N O₃	0.0125 g : 0.5 ml DMSO-d₆
N-benzoyl-DL-alanine

    Assign.     Shift(ppm)

      A            12.
      B             8.69
      C             7.925
      D          7.59 to 7.39
      E             4.488
      F             1.443
     
     COOH-PEAK SPREAD IN THE BASE LINE.
     J(B,E)=7.2HZ

     Hz     ppm     Int.

    782.59   8.739    210
    775.39   8.658    226
    719.48   8.034     44
    716.06   7.996    278
    714.11   7.974    386
    710.94   7.939    305
    709.35   7.921    343
    706.30   7.887    491
    704.35   7.865    143
    701.54   7.834     57
    701.05   7.828     59
    699.34   7.809     41
    683.72   7.635     34
    679.32   7.586    110
    677.98   7.571    221
    677.00   7.560    217
    675.05   7.538    832
    673.22   7.517    815
    669.92   7.481    409
    667.85   7.458    442
    664.92   7.425    146
    663.45   7.408    151
    660.77   7.378     72
    658.94   7.358     71
    417.24   4.659     35
    409.91   4.577    167
    402.59   4.496    273
    399.41   4.460     46
    398.68   4.452     44
    397.95   4.444     45
    395.26   4.414    182
    388.06   4.333     47
    132.93   1.485   1000
    125.61   1.403    962

DMSO-d6