| SpectraBase Compound ID | GuvcMa3lAa7 |
|---|---|
| InChI | InChI=1S/C6H12N2O2S/c1-3-4-7-6(11-2)5-8(9)10/h5,7H,3-4H2,1-2H3/b6-5- |
| InChIKey | OWCCAJROUOTMOE-WAYWQWQTSA-N |
| Mol Weight | 176.23 g/mol |
| Molecular Formula | C6H12N2O2S |
| Exact Mass | 176.061949 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CDTfPhwiLQ7 |
|---|---|
| Name | 1-(Methylthio)-1-N-propylamino-2-nitroethylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.061948806 u |
| Formula | C6H12N2O2S |
| InChI | InChI=1S/C6H12N2O2S/c1-3-4-7-6(11-2)5-8(9)10/h5,7H,3-4H2,1-2H3/b6-5- |
| InChIKey | OWCCAJROUOTMOE-WAYWQWQTSA-N |
| Molecular Weight | 176.234 g/mol |
| SMILES | C(N\C(=C\N(=O)=O)SC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83247 |