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3-(3-TRIFLUOROMETHYLPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID 6doWyyHITWG
InChI InChI=1S/C12H10F3NOS2/c13-12(14,15)8-3-1-4-9(7-8)16-10(17)5-2-6-19-11(16)18/h1,3-4,7H,2,5-6H2
InChIKey IZWCKDDOPRXNSW-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C12H10F3NOS2
Exact Mass 305.015591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PTRKVGI8Vr
Name 3-(3-TRIFLUOROMETHYLPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10F3NOS2
InChI InChI=1S/C12H10F3NOS2/c13-12(14,15)8-3-1-4-9(7-8)16-10(17)5-2-6-19-11(16)18/h1,3-4,7H,2,5-6H2
InChIKey IZWCKDDOPRXNSW-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 305.333 g/mol
Solvent CDCl3
Source File Reference UWSI24527