1138-80-3

N-芐氧羰基-甘氨酸(1138-80-3)Raman光譜

產(chǎn)品名稱:N-芐氧羰基-甘氨酸

CAS:1138-80-3

分子式:C10H11NO4

分子量: 209.2

InChI:InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

InChIKey: CJUMAFVKTCBCJK-UHFFFAOYSA-N

Smiles:C(O)(=O)CNC(OCC1=CC=CC=C1)=O

Mass

MS-NW-2471          
N-(benzyloxycarbonyl)glycine
C10H11NO4           (Mass of molecular ion:    209)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      14.0       1.6
      16.0       1.1
      17.0       3.5
      18.0      18.0
      26.0       2.4
      27.0      14.1
      28.0      28.0
      29.0      38.6
      30.0       4.4
      31.0       3.9
      37.0       1.9
      38.0       3.9
      39.0      13.7
      40.0       1.3
      41.0       2.3
      42.0       2.6
      43.0       2.6
      44.0      23.6
      45.0       3.3
      49.0       1.3
      50.0      10.9
      51.0      23.5
      52.0       7.0
      53.0       5.0
      53.5       1.6
      54.0       1.3
      55.0       1.2
      56.0       7.5
      57.0      15.1
      61.0       1.5
      62.0       3.3
      63.0       6.9
      64.0       2.0
      65.0      13.1
      66.0       1.0
      74.0       4.1
      75.0       2.1
      76.0       1.8
      77.0      50.2
      78.0      12.4
      79.0      99.8
      80.0      10.0
      89.0       8.5
      90.0      12.1
      91.0      46.1
      92.0       5.8
     101.0      10.6
     105.0       6.8
     106.0       3.9
     107.0      67.7
     108.0     100.0
     109.0       8.2
     209.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₁ N O₄	0.041 g : 0.5 ml DMSO-d₆
N-(benzyloxycarbonyl)glycine

    Assign.     Shift(ppm)

      A            12.6
      B             7.58
      C          7.37 to 7.32
      D             5.047
      E             3.684
     
     J(B,E)=6.2HZ

     Hz     ppm     Int.

   3033.42   7.591     60
   3027.38   7.576    113
   3021.33   7.560     63
   2954.29   7.393     55
   2952.46   7.388     52
   2946.60   7.373    266
   2944.58   7.368    335
   2941.10   7.360   1000
   2936.34   7.348    188
   2931.58   7.336    153
   2929.20   7.330    142
   2927.73   7.326    134
   2924.07   7.317    101
   2923.15   7.315    111
   2921.51   7.311     88
   2918.57   7.303     61
   2917.84   7.301     59
   2914.73   7.294     35
   2017.40   5.048    810
   1475.77   3.693    370
   1469.54   3.678    381

KBr disc