| SpectraBase Spectrum ID |
LIW1LtU25b6 |
| Name |
2,3,5,6,7,8-Hexahydro-1-phenyl-5-(phenylimino)-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 |
320.134719826 u |
| Formula |
C20H20N2S |
| InChI |
InChI=1S/C20H20N2S/c1-3-8-16(9-4-1)21-20-18-12-7-13-19(18)22(14-15-23-20)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2/b21-20+ |
| InChIKey |
RFQHQYSXCRCMRA-QZQOTICOSA-N |
| Molecular Weight |
320.454 g/mol |
| SMILES |
C1CCC2=C1N(CCS\C2=N/C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977086 |
![2,3,5,6,7,8-Hexahydro-1-phenyl-5-(phenylimino)-1H-cyclopenta[E][1,4]thiazepine](/api/spectrum/LIW1LtU25b6/structure.png?h=300&w=458 "2,3,5,6,7,8-Hexahydro-1-phenyl-5-(phenylimino)-1H-cyclopenta[E][1,4]thiazepine")
