| SpectraBase Spectrum ID |
DA0AevNxsFY |
| Name |
7-(4-Methylphenyl)-6A,7-dihydro-6H-chromeno[3,4-C][1,5]benzothiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.118735409 u |
| Formula |
C23H19NOS |
| InChI |
InChI=1S/C23H19NOS/c1-15-10-12-16(13-11-15)23-18-14-25-20-8-4-2-6-17(20)22(18)24-19-7-3-5-9-21(19)26-23/h2-13,18,23H,14H2,1H3 |
| InChIKey |
QKZUHYLONHBVDQ-UHFFFAOYSA-N |
| Molecular Weight |
357.471 g/mol |
| SMILES |
C12=CC=CC=C2N=C2C3=CC=CC=C3OCC2C(C2=CC=C(C=C2)C)S1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935073 |
![7-(4-Methylphenyl)-6A,7-dihydro-6H-chromeno[3,4-C][1,5]benzothiazepine](/api/spectrum/DA0AevNxsFY/structure.png?h=300&w=458 "7-(4-Methylphenyl)-6A,7-dihydro-6H-chromeno[3,4-C][1,5]benzothiazepine")
