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 |