| SpectraBase Spectrum ID |
KJcc5wedSp2 |
| Name |
2,3,5,6,7,8-Hexahydro-1-phenyl-5-(p-chlorophenylimino)-1H-cyclopenta[E][1,4]thiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.095747494 u |
| Formula |
C20H19ClN2S |
| InChI |
InChI=1S/C20H19ClN2S/c21-15-9-11-16(12-10-15)22-20-18-7-4-8-19(18)23(13-14-24-20)17-5-2-1-3-6-17/h1-3,5-6,9-12H,4,7-8,13-14H2/b22-20+ |
| InChIKey |
XRVWERIXQSZRRT-LSDHQDQOSA-N |
| Molecular Weight |
354.899 g/mol |
| SMILES |
C1CCC2=C1N(CCS\C2=N/C1=CC=C(C=C1)Cl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868184 |
![2,3,5,6,7,8-Hexahydro-1-phenyl-5-(p-chlorophenylimino)-1H-cyclopenta[E][1,4]thiazepine](/api/spectrum/KJcc5wedSp2/structure.png?h=300&w=458 "2,3,5,6,7,8-Hexahydro-1-phenyl-5-(p-chlorophenylimino)-1H-cyclopenta[E][1,4]thiazepine")
