| SpectraBase Spectrum ID |
Fylvr6LvO4i |
| Name |
6-(Methylthio)-6A,7,8,9-tetrahydropyrrolo[2,1-C][1,4]benzodiazepine-11-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.059840807 u |
| Formula |
C13H14N2S2 |
| InChI |
InChI=1S/C13H14N2S2/c1-17-12-11-7-4-8-15(11)13(16)9-5-2-3-6-10(9)14-12/h2-3,5-6,11H,4,7-8H2,1H3 |
| InChIKey |
DZFMKWLTVPQJHJ-UHFFFAOYSA-N |
| Molecular Weight |
262.389 g/mol |
| SMILES |
C1(N2C(C(SC)=NC=3C1=CC=CC3)CCC2)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861409 |
![6-(Methylthio)-6A,7,8,9-tetrahydropyrrolo[2,1-C][1,4]benzodiazepine-11-thione](/api/spectrum/Fylvr6LvO4i/structure.png?h=300&w=458 "6-(Methylthio)-6A,7,8,9-tetrahydropyrrolo[2,1-C][1,4]benzodiazepine-11-thione")
