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N-乙酰-DL-蛋氨酸(1115-47-5)红外图谱(IR2)

产品名称:N-乙酰-DL-蛋氨酸

CAS:1115-47-5

分子式:C7H13NO3S

分子量: 191.25

InChI:InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

InChIKey: XUYPXLNMDZIRQH-LURJTMIESA-N

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


  • Mass

    MS-NW-4759          
    N-acetyl-DL-methionine
    C7H13NO3S           (Mass of molecular ion:    191)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0       9.7
          17.0       2.0
          18.0      10.9
          26.0       1.1
          27.0       8.6
          28.0      17.0
          29.0       3.1
          30.0       5.4
          35.0       4.9
          39.0       3.7
          40.0       1.0
          41.0      10.6
          42.0       8.6
          43.0      90.6
          44.0      10.6
          45.0       8.8
          46.0       3.8
          47.0      10.9
          48.0       3.2
          49.0       3.0
          54.0       4.1
          55.0       5.8
          56.0      43.2
          57.0      37.0
          58.0       2.0
          59.0       3.6
          60.0       7.4
          61.0      55.1
          62.0       4.6
          63.0       2.7
          68.0       1.9
          70.0       1.8
          71.0       9.1
          72.0       1.9
          73.0       2.6
          74.0      25.8
          75.0      45.1
          76.0       2.0
          77.0       1.9
          83.0       4.2
          84.0       4.5
          85.0       2.0
          86.0       3.8
          87.0       6.2
          88.0      21.6
          89.0       1.5
          97.0       1.3
          98.0       6.4
          99.0     100.0
         100.0      10.7
         101.0       3.4
         102.0      10.4
         103.0       1.0
         104.0       9.4
         112.0      15.5
         113.0       1.2
         114.0       3.1
         116.0       3.7
         117.0      96.9
         118.0       5.2
         125.0       3.0
         130.0      19.5
         131.0       5.9
         132.0       2.6
         144.0       6.8
         146.0       1.1
         148.0       3.8
         149.0       1.3
         173.0       5.1
         191.0      31.3
         192.0       3.1
         193.0       1.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H13 N O3 S 0.040 g : 0.5 ml DMSO-d6
    N-acetyl-DL-methionine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.16 B 4.284 C 2.48 D 2.040 E *1 1.93 F 1.850 G *1 1.82 SIGNAL C OVERLAPPED BY SOLVENT PEAKS

         Hz     ppm     Int.
    

       3263.11   8.165     53
       3255.42   8.146     54
       1715.17   4.292     30
       1714.07   4.289     35
       1710.78   4.281     33
       1709.49   4.278     31
       1005.77   2.517     43
       1003.94   2.513     56
       1001.92   2.507     70
        996.24   2.493     68
        992.95   2.485     50
        988.37   2.474     74
        981.22   2.456     40
        815.64   2.041   1000
        771.50   1.931     30
        739.63   1.851    712
        732.30   1.833     37
    

in DMSO-d6



KBr disc



nujol mull



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