| SpectraBase Spectrum ID |
7b7vA64JL7J |
| Name |
2,2A,3,4-Tetrahydro-2-A-methylhio-2-phenoxy-1H-azeto-[2,1-D]-[1,5]-benzothiazepin-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.070071137 u |
| Formula |
C18H17NO2S2 |
| InChI |
InChI=1S/C18H17NO2S2/c1-22-18-11-12-23-15-10-6-5-9-14(15)19(18)17(20)16(18)21-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3 |
| InChIKey |
WIEATRGCCCWSAJ-UHFFFAOYSA-N |
| Molecular Weight |
343.459 g/mol |
| SMILES |
C1(N2C(C1OC1=CC=CC=C1)(SC)CCSC1=CC=CC=C21)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832907 |
![2,2A,3,4-Tetrahydro-2-A-methylhio-2-phenoxy-1H-azeto-[2,1-D]-[1,5]-benzothiazepin-1-one](/api/spectrum/7b7vA64JL7J/structure.png?h=300&w=458 "2,2A,3,4-Tetrahydro-2-A-methylhio-2-phenoxy-1H-azeto-[2,1-D]-[1,5]-benzothiazepin-1-one")
