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10366-35-5

2-氯烟酰胺(10366-35-5)核磁图(13CNMR)

产品名称:2-氯烟酰胺

CAS:10366-35-5

分子式:C6H5ClN2O

分子量: 156.57

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

InChIKey: ZQZAHPFFZWEUCL-UHFFFAOYSA-N

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

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    Mass

    MS-IW-7590          
    2-chloronicotinamide
    C6H5ClN2O           (Mass of molecular ion:    156)
    

       Source Temperature: 150 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       1.9
          26.0       1.7
          28.0       1.7
          37.0       1.2
          38.0       1.8
          39.0       2.1
          44.0       9.0
          49.0       2.3
          50.0      10.9
          51.0       9.7
          52.0       2.8
          62.0       1.6
          66.0       1.3
          75.0       3.3
          76.0      20.7
          77.0       7.1
          78.0      12.1
          84.0       1.4
          85.0       5.8
          86.0       1.6
          87.0       2.2
          91.0       1.3
          93.0       1.0
         103.0       8.7
         104.0       1.1
         112.0      42.9
         113.0       7.6
         114.0      14.2
         115.0       2.4
         138.0       8.1
         140.0     100.0
         141.0       6.9
         142.0      32.2
         143.0       2.1
         156.0      87.7
         157.0       6.6
         158.0      28.7
         159.0       2.1
    

400 MHz 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
    2-chloronicotinamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.460 B *1 8.06 C 7.910 D *1 7.78 E 7.486

         Hz     ppm     Int.
    

       3384.64   8.470    841
       3382.69   8.465    928
       3379.76   8.457    917
       3377.81   8.452    898
       3373.54   8.442     35
       3372.68   8.440     30
       3370.85   8.435     24
       3221.92   8.062    370
       3166.26   7.923    870
       3164.31   7.918    895
       3161.50   7.911     90
       3158.81   7.904   1000
       3156.86   7.900    952
       3152.10   7.888     36
       3108.03   7.777    375
       2998.05   7.502    940
       2993.29   7.490    902
       2990.48   7.483    865
       2985.72   7.471    855
    

DMSO-d6

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KBr disc

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nujol mull

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