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1-METHYL-5-SULFOISATIN-BETA-THIOSEMICARBAZONE;(LE-CONFORMATION)

View entire compound with spectra: 4 NMR

1-METHYL-5-SULFOISATIN-BETA-THIOSEMICARBAZONE;(LE-CONFORMATION)
SpectraBase Compound ID 3QSCdYUDr8O
InChI InChI=1S/C10H10N4O4S2/c1-14-7-3-2-5(20(16,17)18)4-6(7)8(9(14)15)12-13-10(11)19/h2-4H,1H3,(H3,11,13,19)(H,16,17,18)/b12-8-
InChIKey UMKHOKNETGWCFB-WQLSENKSSA-N
Mol Weight 314.33 g/mol
Molecular Formula C10H10N4O4S2
Exact Mass 314.014347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XdrKJsToe8
Name 1-METHYL-5-SULFOISATIN-BETA-THIOSEMICARBAZONE;(HLZ-CONFORMATION)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N4O4S2
InChI InChI=1S/C10H10N4O4S2/c1-14-7-3-2-5(20(16,17)18)4-6(7)8(9(14)15)12-13-10(11)19/h2-4H,1H3,(H3,11,13,19)(H,16,17,18)/b12-8-
InChIKey UMKHOKNETGWCFB-WQLSENKSSA-N
Literature Reference Author H.STUENZI
Literature Reference Citation AUSTR.J.CHEM.,34,373(1981)
Literature Reference DOI 10.1071/ch9810373
Molecular Weight 314.334 g/mol
Solvent D2O
Source File Reference UWED2525