4-氯-7-綠磺酰-2，1，3-苯并二唑(142246-48-8)核磁圖(¹HNMR)

產(chǎn)品名稱:4-氯-7-綠磺酰-2，1，3-苯并二唑

CAS:142246-48-8

分子式:C6H2Cl2N2O3S

分子量: 253.06

InChI:InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H

InChIKey: BPPRLMZEVZSIIJ-UHFFFAOYSA-N

Smiles:N1=C2C(Cl)=CC=C(S(Cl)(=O)=O)C2=NO1

Mass

MS-IW-7204          
7-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
C6H2Cl2N2O3S        (Mass of molecular ion:    252)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      30.0       8.9
      36.0       1.9
      37.0       2.3
      38.0       1.3
      48.0       1.4
      49.0       1.2
      51.0       1.3
      61.0       4.8
      62.0       2.4
      63.0       1.9
      64.0       3.1
      72.0       2.5
      73.0       1.6
      74.0       3.6
      75.0       2.0
      76.0       2.3
      86.0       1.4
      87.0       5.8
      88.0      23.4
      89.0       2.8
      97.0       1.6
      98.0       5.4
     100.0       1.9
     104.0       2.2
     117.0       1.3
     122.0       1.0
     123.0       6.9
     124.0       1.8
     125.0       3.1
     139.0       2.4
     141.0       3.3
     143.0       1.5
     152.0       1.1
     153.0      13.1
     154.0       2.1
     155.0       4.3
     158.0       3.3
     160.0       2.2
     169.0       5.0
     171.0       1.7
     188.0       3.4
     190.0       2.2
     217.0     100.0
     218.0       8.2
     219.0      37.1
     220.0       3.0
     221.0       1.7
     252.0      18.1
     253.0       1.5
     254.0      12.4
     255.0       1.0
     256.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₂ Cl₂ N₂ O₃ S	0.040 g : 0.5 ml CDCl₃
7-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride

    Assign.     Shift(ppm)

      A             8.202
      B             7.691

     Hz     ppm     Int.

   3281.86   8.212    905
   3279.05   8.205     29
   3277.22   8.201     31
   3274.29   8.193   1000
   3081.67   7.711     23
   3077.39   7.701    960
   3074.71   7.694     30
   3074.10   7.692     34
   3073.12   7.690     34
   3069.82   7.682    916

in CDCl3