85-73-4

酞磺胺噻唑(85-73-4)核磁图(¹HNMR)

分子式:C17H13N3O5S2

分子量: 403.43

InChI:InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)

InChIKey: PBMSWVPMRUJMPE-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1C(NC1=CC=C(S(NC2=NC=CS2)(=O)=O)C=C1)=O

¹HNMR

IR1

IR2

Mass

MS-KW-0460          
4'-((2-thiazolyl)sulfamoyl)phthalanilic acid
C17H13N3O5S2        (Mass of molecular ion:    403)

   Source Temperature: 200 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.8
      26.0       2.3
      27.0      10.1
      28.0      17.3
      32.0       1.6
      34.0       2.0
      38.0       2.5
      39.0      14.9
      40.0       2.4
      41.0       5.1
      42.0       2.0
      43.0       1.0
      44.0       2.6
      45.0      14.6
      46.0       2.6
      48.0       1.7
      50.0       2.4
      51.0       2.4
      52.0       4.4
      53.0       3.1
      54.0       2.0
      55.0      14.5
      57.0       1.8
      58.0       8.0
      59.0       1.4
      60.0       1.3
      62.0       1.7
      63.0       5.2
      64.0       9.4
      65.0      50.7
      66.0       9.5
      67.0       1.0
      69.0       1.2
      70.0       1.4
      71.0       2.2
      73.0       2.4
      76.0       2.6
      77.0       1.2
      78.0       1.2
      80.0       5.9
      81.0       2.4
      90.0       1.3
      91.0       5.0
      92.0     100.0
      93.0      28.2
      94.0       1.9
      95.5       1.0
      97.0       1.8
      98.0       1.5
      99.0       4.8
     100.0       7.9
     101.0       1.0
     104.0       1.5
     108.0      58.7
     109.0       5.8
     118.0       1.1
     119.0       1.6
     123.0       1.6
     124.0       3.7
     125.0      10.2
     126.0       1.0
     136.0       1.0
     140.0      15.8
     141.0       1.4
     156.0      82.5
     157.0       8.6
     158.0       4.5
     164.0       1.3
     190.0       5.1
     191.0      52.0
     192.0       6.7
     193.0       2.6
     255.0      11.1
     256.0       1.6
     257.0       1.1