13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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1113-41-3

L-(+)-青霉胺(1113-41-3)核磁圖(13CNMR)

產(chǎn)品名稱:L-(+)-青霉胺

CAS:1113-41-3

分子式:C5H11NO2S

分子量: 149.21

InChI:InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1

InChIKey: VVNCNSJFMMFHPL-GSVOUGTGSA-N

Smiles:C(O)(=O)[C@H](C(S)(C)C)N

  • 圖譜
    Mass 

    MS-NW-6884          
L-(+)-penicillamine
C5H11NO2S           (Mass of molecular ion:    149)


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


          18.0       3.0
      27.0       3.8
      28.0      15.8
      29.0       6.0
      30.0       5.7
      32.0       1.8
      33.0       2.1
      34.0       5.3
      38.0       1.0
      39.0       6.2
      41.0      23.9
      42.0       3.6
      43.0       9.6
      44.0       8.6
      45.0       3.1
      46.0       2.5
      47.0       5.7
      53.0       2.6
      54.0       2.3
      55.0       2.0
      56.0      12.0
      57.0      13.4
      59.0       4.6
      70.0      14.3
      71.0       9.5
      72.0       2.8
      74.0       5.0
      75.0     100.0
      76.0       3.5
      77.0       2.4
      87.0       4.7
      88.0       1.0
      98.0       1.8
     104.0       4.8

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C5 H11 N O2 S 0.041 g : 0.5 ml D2O
    L-(+)-penicillamine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.705
      B     *1      1.574
      C     *1      1.489
     
     SOLVENT PEAK REMOVED
  

         Hz     ppm     Int.


       1480.71   3.706    501
    629.03   1.574    996
    595.34   1.490   1000

in D2O

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KBr disc

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nujol mull

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