| SpectraBase Spectrum ID |
LmgLZa8sw82 |
| Name |
3'-(Methylthio)-2,4,6-trinitrodiphenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.032105226 u |
| Formula |
C13H10N4O6S |
| InChI |
InChI=1S/C13H10N4O6S/c1-24-10-4-2-3-8(5-10)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3 |
| InChIKey |
ZITLQFIBZHKQNE-UHFFFAOYSA-N |
| Molecular Weight |
350.305 g/mol |
| SMILES |
N(C=1C=C(C=CC1)SC)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.733743 |
