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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carbonitrile, 7-(trifluoromethyl)-

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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carbonitrile, 7-(trifluoromethyl)-
SpectraBase Compound ID L8RHhrubLQg
InChI InChI=1S/C4F3N3S3/c5-4(6,7)3-2(1-8)11-9-13-10-12-3
InChIKey SKCQOXLMGGZITJ-UHFFFAOYSA-N
Mol Weight 243.24 g/mol
Molecular Formula C4F3N3S3
Exact Mass 242.920645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrNoFPIVOPw
Name 7-Trifluoromethyl-1,3,5,2,4-trithiadiazepine-6-carbonitrile
CAS Registry Number 110672-06-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4F3N3S3
InChI InChI=1S/C4F3N3S3/c5-4(6,7)3-2(1-8)11-9-13-10-12-3
InChIKey SKCQOXLMGGZITJ-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference P.J. Dunn, C.W. Rees, J. Chem. Soc. Perkin I 1579 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3