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2-Carbomethoxy-3-phenyl-7,8-diethoxy-4,5-dihydro-1,4-benzothiazepine

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2-Carbomethoxy-3-phenyl-7,8-diethoxy-4,5-dihydro-1,4-benzothiazepine
SpectraBase Compound ID BUSHLZQBU1q
InChI InChI=1S/C21H23NO4S/c1-4-25-16-11-15-13-22-19(14-9-7-6-8-10-14)20(21(23)24-3)27-18(15)12-17(16)26-5-2/h6-12,22H,4-5,13H2,1-3H3
InChIKey NOKLGNXBARMVJA-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cyh40Vf3Mkv
Name 2-Carbomethoxy-3-phenyl-7,8-diethoxy-4,5-dihydro-1,4-benzothiazepine
CAS Registry Number 97326-02-8
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-4-25-16-11-15-13-22-19(14-9-7-6-8-10-14)20(21(23)24-3)27-18(15)12-17(16)26-5-2/h6-12,22H,4-5,13H2,1-3H3
InChIKey NOKLGNXBARMVJA-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