6271-78-9

6-氯烟酰胺(6271-78-9)核磁图(¹³CNMR)

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

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

¹H NMR	399.65 MHz
C₆ H₅ Cl N₂ O	0.039 g : 0.5 ml DMSO-d₆
6-chloronicotinamide

    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