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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carboxylic acid, 7-(trifluoromethyl)-, ethyl ester

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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carboxylic acid, 7-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID KSvlCeLtFUg
InChI InChI=1S/C6H5F3N2O2S3/c1-2-13-5(12)3-4(6(7,8)9)15-11-16-10-14-3/h2H2,1H3
InChIKey BVDKZTUWLAVWCR-UHFFFAOYSA-N
Mol Weight 290.29 g/mol
Molecular Formula C6H5F3N2O2S3
Exact Mass 289.946525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmLjgLVHx2V
Name 7-Trifluoromethyl-1,3,5,2,4-trithiadiazepine-6-carboxylic acid, ethyl ester
CAS Registry Number 110654-26-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5F3N2O2S3
InChI InChI=1S/C6H5F3N2O2S3/c1-2-13-5(12)3-4(6(7,8)9)15-11-16-10-14-3/h2H2,1H3
InChIKey BVDKZTUWLAVWCR-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference P.J. Dunn, C.W. Rees, J. Chem. Soc. Perkin I 1585 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3