| SpectraBase Spectrum ID |
70g6P57j4tv |
| Name |
1,3-Thiazepin-2(3H)-one, 3,4,7-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.103085344 u |
| Formula |
C23H17NOS |
| InChI |
InChI=1S/C23H17NOS/c25-23-24(20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)16-17-22(26-23)19-12-6-2-7-13-19/h1-17H |
| InChIKey |
WMNPWVYJSIYIFB-UHFFFAOYSA-N |
| Molecular Weight |
355.455 g/mol |
| SMILES |
C1(N(C(=CC=C(S1)C=1C=CC=CC1)C1=CC=CC=C1)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863053 |
