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2-Carbomethoxy-3-(4-chloro-phenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine

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2-Carbomethoxy-3-(4-chloro-phenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine
SpectraBase Compound ID 96mlfFCJX0L
InChI InChI=1S/C19H18ClNO4S/c1-23-14-8-12-10-21-17(11-4-6-13(20)7-5-11)18(19(22)25-3)26-16(12)9-15(14)24-2/h4-9,21H,10H2,1-3H3
InChIKey KUXIYPTYIYDJRA-UHFFFAOYSA-N
Mol Weight 391.87 g/mol
Molecular Formula C19H18ClNO4S
Exact Mass 391.064507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cPkNG6D6cT
Name 2-Carbomethoxy-3-(4-chloro-phenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine
CAS Registry Number 97326-04-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H18ClNO4S
InChI InChI=1S/C19H18ClNO4S/c1-23-14-8-12-10-21-17(11-4-6-13(20)7-5-11)18(19(22)25-3)26-16(12)9-15(14)24-2/h4-9,21H,10H2,1-3H3
InChIKey KUXIYPTYIYDJRA-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference L. Fodor, J. Szabo, Tetrahedron 40, 4089 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3