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返回ChemicalBook首页>CAS数据库列表>1454-53-1更多图谱> 1-苄基-3-乙氧羰基-4-哌啶酮盐酸盐(1454-53-1)核磁图(13CNMR)

1454-53-1

1-苄基-3-乙氧羰基-4-哌啶酮盐酸盐(1454-53-1)核磁图(13CNMR)

分子式:C15H20ClNO3

分子量: 297.78

InChI:InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H

InChIKey: YPFMNHZRNXPYBG-UHFFFAOYSA-N

Smiles:N1(CCC(=O)C(C(=O)OCC)C1)CC1C=CC=CC=1.Cl

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    Mass

    MS-KW-0826          
    (3E)-1-benzyl-3-(ethoxy(hydroxy)methylene)piperidin-4-one hydrochloride hydrate
    C15H19NO3 HCl H2O   (Mass of molecular ion:    261)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       2.9
          27.0       2.8
          28.0       2.2
          29.0       2.8
          35.0       1.8
          36.0      20.9
          38.0       6.8
          39.0       2.4
          41.0       2.5
          42.0       5.0
          43.0       1.4
          51.0       1.3
          54.0       1.3
          55.0       5.1
          56.0       1.6
          63.0       1.0
          65.0       8.7
          68.0       1.1
          69.0       2.0
          70.0       1.9
          77.0       1.0
          82.0       1.0
          84.0       1.2
          89.0       1.6
          90.0       1.3
          91.0     100.0
          92.0      14.0
          96.0       3.4
          97.0       1.8
          98.0       2.3
          99.0       1.0
         104.0       1.5
         114.0       1.6
         118.0       2.8
         120.0       4.0
         124.0      18.4
         125.0       1.3
         128.0       1.3
         132.0       2.0
         133.0       2.8
         138.0       2.6
         142.0       1.2
         146.0       1.4
         170.0       6.6
         184.0       1.7
         187.0       1.1
         188.0      32.0
         189.0       4.6
         214.0      50.2
         215.0       8.3
         216.0       7.5
         217.0       1.1
         232.0       7.6
         233.0       1.2
         260.0       5.9
         261.0      17.9
         262.0       3.1
    

in DMSO-d6

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in DMSO-d6

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KBr disk

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Nujol

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