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6271-78-9

6-氯烟酰胺(6271-78-9)质谱(MS)

产品名称:6-氯烟酰胺

CAS:6271-78-9

分子式:C6H5ClN2O

分子量: 156.57

InChI:InChI=1S/C6H5ClN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)

InChIKey: ZIJAZUBWHAZHPL-UHFFFAOYSA-N

Smiles:C1=NC(Cl)=CC=C1C(N)=O

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    Mass

    MS-NW-8232          
    6-chloronicotinamide
    C6H5ClN2O           (Mass of molecular ion:    156)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.2
          26.0       1.8
          28.0       3.2
          37.0       1.5
          38.0       2.4
          39.0       1.3
          44.0      13.2
          49.0       2.9
          50.0      16.1
          51.0      10.1
          52.0       3.3
          53.0       2.0
          60.0       1.3
          62.0       1.7
          64.0       1.1
          75.0       4.0
          76.0      19.3
          77.0       6.0
          78.0       7.9
          85.0      14.0
          86.0       1.5
          87.0       4.6
         111.0       2.3
         112.0      47.6
         113.0       4.2
         114.0      15.5
         115.0       1.1
         128.0       3.0
         130.0       1.0
         139.0       4.3
         140.0     100.0
         141.0       8.4
         142.0      32.4
         143.0       2.3
         156.0      78.0
         157.0       6.7
         158.0      25.4
         159.0       2.2
    

400 MHz in DMSO-d6

in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H5 Cl N2 O 0.039 g : 0.5 ml DMSO-d6
    6-chloronicotinamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.901 B 8.294 C *1 8.27 D *1 7.75 E 7.661

         Hz     ppm     Int.
    

       3559.11   8.906    908
       3558.35   8.904    954
       3556.67   8.900    930
       3555.91   8.898    911
       3320.47   8.309    836
       3318.02   8.303    818
       3312.23   8.288    960
       3309.63   8.282   1000
       3306.73   8.275    286
       3098.60   7.754    271
       3066.25   7.673    946
       3065.64   7.671    996
       3058.01   7.652    934
       3057.25   7.650    933
    

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in DMSO-d6

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KBr disk

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Nujol

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