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2-Diethoxymethyl-4-phenylbenzo[b][1,4]thiazepine
SpectraBase Compound ID 8XaGjGNkUG
InChI InChI=1S/C20H21NO2S/c1-3-22-20(23-4-2)19-14-17(15-10-6-5-7-11-15)21-16-12-8-9-13-18(16)24-19/h5-14,20H,3-4H2,1-2H3
InChIKey KHZYJNIIUVSEPW-UHFFFAOYSA-N
Mol Weight 339.45 g/mol
Molecular Formula C20H21NO2S
Exact Mass 339.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnAiHtvYQ0M
Name 2-Diethoxymethyl-4-phenylbenzo[b][1,4]thiazepine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO2S
InChI InChI=1S/C20H21NO2S/c1-3-22-20(23-4-2)19-14-17(15-10-6-5-7-11-15)21-16-12-8-9-13-18(16)24-19/h5-14,20H,3-4H2,1-2H3
InChIKey KHZYJNIIUVSEPW-UHFFFAOYSA-N
Molecular Weight 339.453 g/mol
SMILES C1(=Nc2c(SC(=C1)C(OCC)OCC)cccc2)c1ccccc1
SPLASH splash10-0zi1-9763000000-bef91b79ad96f8e4441d
Source of Spectrum F-53-644-6
Synonyms 2-(diethoxymethyl)-4-phenyl-1,5-benzothiazepine
Wiley ID 800035