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KQIGURHYUPFCQR-UHFFFAOYSA-N
SpectraBase Compound ID 3zqn79nepFZ
InChI InChI=1S/C6H8N2O2S/c1-4(9)3-5-7-8(2)6(11)10-5/h3H2,1-2H3
InChIKey KQIGURHYUPFCQR-UHFFFAOYSA-N
Mol Weight 172.2 g/mol
Molecular Formula C6H8N2O2S
Exact Mass 172.030649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lt30Bpt0a1K
Name 2-ACETONYL-4-METHYL-4,5-DIHYDRO-1,3,4-OXADIAZOLE-5-THIONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8N2O2S
InChI InChI=1S/C6H8N2O2S/c1-4(9)3-5-7-8(2)6(11)10-5/h3H2,1-2H3
InChIKey KQIGURHYUPFCQR-UHFFFAOYSA-N
Literature Reference Author J.REITER,J.BARKOCZY,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,30,1325(1993)
Literature Reference DOI 10.1002/jhet.5570300524
Molecular Weight 172.202 g/mol
Solvent CDCl3
Source File Reference UWGE882