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51-05-8

鹽酸普魯卡因(51-05-8)質(zhì)譜(MS)

產(chǎn)品名稱:鹽酸普魯卡因

CAS:51-05-8

分子式:C13H21ClN2O2

分子量: 272.77

InChI:InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H

InChIKey: HCBIBCJNVBAKAB-UHFFFAOYSA-N

Smiles:C1(=CC=C(N)C=C1)C(=O)OCCN(CC)CC.Cl

  • 圖譜
    Mass 

    MS-NW-8299          
2-(diethylamino)ethyl p-aminobenzoate hydrochloride
C13H20N2O2 HCl      (Mass of molecular ion:    236)


       Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          18.0       3.4
      27.0       1.0
      28.0       2.7
      29.0       3.0
      30.0       7.8
      36.0       8.2
      38.0       2.7
      39.0       1.1
      42.0       2.8
      44.0       1.7
      56.0       3.6
      57.0       1.0
      58.0       8.4
      65.0       4.4
      70.0       1.9
      71.0       5.3
      72.0       1.2
      84.0       3.3
      86.0     100.0
      87.0       6.0
      92.0       4.8
      99.0      29.4
     100.0       2.6
     110.5       1.0
     120.0      13.2
     121.0       1.1
     137.0       1.0
     164.0       2.9

90 MHz in D2O

  • 圖譜

    1H NMR 89.56 MHz
    C13 H20 N2 O2 0.037 g : 0.5 ml D2O
    2-(diethylamino)ethyl p-aminobenzoate hydrochloride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.821
      B             6.833
      C             4.602
      D             3.595
      E             3.341
      F             1.369
     
     SOLVENT PEAK REMOVED
  

         Hz     ppm     Int.


        696.50   7.777    350
    616.06   6.879    340
    607.31   6.782    291
    415.75   4.643    169
    411.00   4.590    151
    405.94   4.533    163
    304.31   3.398    444
    297.06   3.317    489
    129.63   1.448    497
    122.38   1.367   1000
    115.13   1.286    428

KBr disc

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nujol mull

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