| SpectraBase Spectrum ID |
7RJQn7MwrYX |
| Name |
4-(Methylthio)-3,3A-dihydro-1H-thiazolo[4,3-C][1,4]benzodiazepin-10-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.039105361 u |
| Formula |
C12H12N2OS2 |
| InChI |
InChI=1S/C12H12N2OS2/c1-16-11-10-6-17-7-14(10)12(15)8-4-2-3-5-9(8)13-11/h2-5,10H,6-7H2,1H3 |
| InChIKey |
DMVCEGRPBFJUFB-UHFFFAOYSA-N |
| SMILES |
C1(N2C(C(=NC=3C1=CC=CC3)SC)CSC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894552 |