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8-Methoxy-4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
SpectraBase Compound ID 86BA859kV6m
InChI InChI=1S/C17H19NOS/c1-18-10-11-20-16-12-14(19-2)8-9-15(16)17(18)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKey VAOOJBPQBMEXOP-UHFFFAOYSA-N
Mol Weight 285.4 g/mol
Molecular Formula C17H19NOS
Exact Mass 285.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBwtOPMnMX2
Name 8-Methoxy-4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NOS
InChI InChI=1S/C17H19NOS/c1-18-10-11-20-16-12-14(19-2)8-9-15(16)17(18)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKey VAOOJBPQBMEXOP-UHFFFAOYSA-N
Molecular Weight 285.405 g/mol
SMILES c12C(N(CCSc2cc(cc1)OC)C)c1ccccc1
SPLASH splash10-0a4i-0590000000-e44c6755d3fa70433b65
Source of Spectrum HC-49-337-22
Synonyms 8-Methoxy-4-methyl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine 8-Methoxy-4-methyl-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine
Wiley ID 1735551