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Back ChemicalBook Home>CAS DataBase List>91-56-5More Spectrum> Isatin(91-56-5) 1H NMR

Isatin(91-56-5) 1H NMR

Product NameIsatin

CAS91-56-5

Molecular FormulaC8H5NO2

Molecular Weight147.13

InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)

InChIKey JXDYKVIHCLTXOP-UHFFFAOYSA-N

SmilesN1C2=C(C=CC=C2)C(=O)C1=O


  • Mass

    MS-NW-0673          
    2,3-indolinedione
    C8H5NO2             (Mass of molecular ion:    147)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.6
          26.0       1.2
          27.0       1.2
          28.0       3.0
          37.0       7.3
          38.0      10.5
          39.0       8.7
          40.0       1.7
          41.0       4.0
          44.5       2.0
          45.5       5.6
          49.0       1.6
          50.0      10.1
          51.0       2.9
          52.0       7.6
          53.0       1.7
          59.5       1.5
          61.0       3.5
          62.0       5.7
          63.0      19.2
          64.0      26.4
          65.0       5.6
          74.0       3.2
          75.0       2.7
          76.0       7.4
          90.0       7.8
          91.0      18.3
          92.0      64.4
          93.0       4.5
         119.0     100.0
         120.0       7.9
         147.0      43.3
         148.0       4.2
    

in DMSO-d6



in DMSO-d6



KBr disk



nujol mull



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