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5-SULFOISATIN-BETA-THIOSEMICARBAZONE;(LE-CONFORMATION)
SpectraBase Compound ID AUSUJoh54Md
InChI InChI=1S/C9H8N4O4S2/c10-9(18)13-12-7-5-3-4(19(15,16)17)1-2-6(5)11-8(7)14/h1-3H,(H3,10,13,18)(H,11,12,14)(H,15,16,17)
InChIKey WUCGCPKUJCSTEJ-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C9H8N4O4S2
Exact Mass 299.998697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMa2zkQo0ZE
Name 5-SULFOISATIN-BETA-THIOSEMICARBAZONE;(HLZ-CONFORMATION)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O4S2
InChI InChI=1S/C9H8N4O4S2/c10-9(18)13-12-7-5-3-4(19(15,16)17)1-2-6(5)11-8(7)14/h1-3H,(H3,10,13,18)(H,11,12,14)(H,15,16,17)
InChIKey WUCGCPKUJCSTEJ-UHFFFAOYSA-N
Literature Reference Author H.STUENZI
Literature Reference Citation AUSTR.J.CHEM.,34,373(1981)
Literature Reference DOI 10.1071/ch9810373
Molecular Weight 300.307 g/mol
Solvent D2O
Source File Reference UWED2519