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3-(4-ISOTHIOCYANATOPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID IJteVX0nSZp
InChI InChI=1S/C12H10N2OS3/c15-11-2-1-7-18-12(17)14(11)10-5-3-9(4-6-10)13-8-16/h3-6H,1-2,7H2
InChIKey HHPOETCOBTYKON-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C12H10N2OS3
Exact Mass 293.995526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4MsM5LnM5N
Name 3-(4-ISOTHIOCYANATOPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10N2OS3
InChI InChI=1S/C12H10N2OS3/c15-11-2-1-7-18-12(17)14(11)10-5-3-9(4-6-10)13-8-16/h3-6H,1-2,7H2
InChIKey HHPOETCOBTYKON-UHFFFAOYSA-N
Literature Reference Author W.HANEFELD,H.SCHUETZ
Literature Reference Citation J.HETCYCL.CHEM.,36,1167(1999)
Literature Reference DOI 10.1002/jhet.5570360509
Molecular Weight 294.404 g/mol
Solvent CDCl3
Source File Reference UWSI24534