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1,5-Benzothiazepine, 2-methyl-4-(4-methoxyphenyl)-2,3-dihydro-
SpectraBase Compound ID 4SCTvs96g7a
InChI InChI=1S/C17H17NOS/c1-12-11-16(13-7-9-14(19-2)10-8-13)18-15-5-3-4-6-17(15)20-12/h3-10,12H,11H2,1-2H3
InChIKey KTJSEZXWMADWSE-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8NSQZS9AiHe
Name 1,5-Benzothiazepine, 2-methyl-4-(4-methoxyphenyl)-2,3-dihydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.103085344 u
Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c1-12-11-16(13-7-9-14(19-2)10-8-13)18-15-5-3-4-6-17(15)20-12/h3-10,12H,11H2,1-2H3
InChIKey KTJSEZXWMADWSE-UHFFFAOYSA-N
SMILES C12=C(C=CC=C2)SC(CC(=N1)C=1C=CC(=CC1)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943692