| SpectraBase Compound ID | JVrquUkmitu |
|---|---|
| InChI | InChI=1S/C8H8N2O4S/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3 |
| InChIKey | YAEUJKKKLFLPSM-UHFFFAOYSA-N |
| Mol Weight | 228.22 g/mol |
| Molecular Formula | C8H8N2O4S |
| Exact Mass | 228.020478 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HEBuJZQJxvC |
|---|---|
| Name | 1-(Ethylthio)-2,4-dinitro-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.020477916 u |
| Formula | C8H8N2O4S |
| InChI | InChI=1S/C8H8N2O4S/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3 |
| InChIKey | YAEUJKKKLFLPSM-UHFFFAOYSA-N |
| Molecular Weight | 228.222 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958986 |