2-氯煙酰胺(10366-35-5)核磁圖(¹HNMR)

產(chǎn)品名稱:2-氯煙酰胺

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

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

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

    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