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51-05-8

鹽酸普魯卡因(51-05-8)Raman光譜

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

  • 圖譜

nujol mull

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