| SpectraBase Compound ID | 3Dhx4XFAAkP |
|---|---|
| InChI | InChI=1S/C6H11NO2S/c1-3-4-10-6(2)5-7(8)9/h3,6H,1,4-5H2,2H3 |
| InChIKey | DNSZJHNUSMQUBR-UHFFFAOYSA-N |
| Mol Weight | 161.22 g/mol |
| Molecular Formula | C6H11NO2S |
| Exact Mass | 161.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 347tzUpj1XJ |
|---|---|
| Name | Propane, 1-nitro-2-(2-propenylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.051049770 u |
| Formula | C6H11NO2S |
| InChI | InChI=1S/C6H11NO2S/c1-3-4-10-6(2)5-7(8)9/h3,6H,1,4-5H2,2H3 |
| InChIKey | DNSZJHNUSMQUBR-UHFFFAOYSA-N |
| SMILES | CC(CN(=O)=O)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970439 |