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2-(N-BUTYLAMINO9-4-METHYL-4,5-DIHYDRO-1,3,4-THIADIAZOLE-5-THIONE
SpectraBase Compound ID TSAM5rYPIt
InChI InChI=1S/C7H13N3S2/c1-3-4-5-8-6-9-10(2)7(11)12-6/h3-5H2,1-2H3,(H,8,9)
InChIKey GTNIPXZWWXUQKK-UHFFFAOYSA-N
Mol Weight 203.32 g/mol
Molecular Formula C7H13N3S2
Exact Mass 203.05509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BG7XP2nvWhY
Name 2-(N-BUTYLAMINO9-4-METHYL-4,5-DIHYDRO-1,3,4-THIADIAZOLE-5-THIONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H13N3S2
InChI InChI=1S/C7H13N3S2/c1-3-4-5-8-6-9-10(2)7(11)12-6/h3-5H2,1-2H3,(H,8,9)
InChIKey GTNIPXZWWXUQKK-UHFFFAOYSA-N
Literature Reference Author J.REITER,J.BARKOCZY
Literature Reference Citation J.HETCYCL.CHEM.,30,333(1993)
Literature Reference DOI 10.1002/jhet.5570300207
Molecular Weight 203.320 g/mol
Solvent DMSO-D6
Source File Reference UWPB246