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

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2-Carbomethoxy-3-(2-methyl-phenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine
SpectraBase Compound ID omB7Z0ZhIX
InChI InChI=1S/C20H21NO4S/c1-12-7-5-6-8-14(12)18-19(20(22)25-4)26-17-10-16(24-3)15(23-2)9-13(17)11-21-18/h5-10,21H,11H2,1-4H3
InChIKey AMTONWUGNLPIIM-UHFFFAOYSA-N
Mol Weight 371.45 g/mol
Molecular Formula C20H21NO4S
Exact Mass 371.119129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdJtMva5lr6
Name 2-Carbomethoxy-3-(2-methyl-phenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine
CAS Registry Number 97326-05-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H21NO4S
InChI InChI=1S/C20H21NO4S/c1-12-7-5-6-8-14(12)18-19(20(22)25-4)26-17-10-16(24-3)15(23-2)9-13(17)11-21-18/h5-10,21H,11H2,1-4H3
InChIKey AMTONWUGNLPIIM-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