| SpectraBase Spectrum ID |
JiPymREOdb7 |
| Name |
7-(4-Chlorophenyl)-5,6,6A,7-tetrahydronaphtho[2,1-C][1,5]benzothiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.084848458 u |
| Formula |
C23H18ClNS |
| InChI |
InChI=1S/C23H18ClNS/c24-17-12-9-16(10-13-17)23-19-14-11-15-5-1-2-6-18(15)22(19)25-20-7-3-4-8-21(20)26-23/h1-10,12-13,19,23H,11,14H2 |
| InChIKey |
UIHTYLURQRTVDO-UHFFFAOYSA-N |
| Molecular Weight |
375.917 g/mol |
| SMILES |
C12=CC=CC=C2N=C2C3=CC=CC=C3CCC2C(C2=CC=C(C=C2)Cl)S1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849064 |
![7-(4-Chlorophenyl)-5,6,6A,7-tetrahydronaphtho[2,1-C][1,5]benzothiazepine](/api/spectrum/JiPymREOdb7/structure.png?h=300&w=458 "7-(4-Chlorophenyl)-5,6,6A,7-tetrahydronaphtho[2,1-C][1,5]benzothiazepine")
