![o-Ethyl 3-[(methoxycarbonyl)amino]propane-1-thioate](/api/spectrum/G6duzQ1EhrN/structure.png?h=300&w=458 "o-Ethyl 3-[(methoxycarbonyl)amino]propane-1-thioate")
| SpectraBase Compound ID | 3uo5rJRSfS0 |
|---|---|
| InChI | InChI=1S/C7H13NO3S/c1-3-11-6(12)4-5-8-7(9)10-2/h3-5H2,1-2H3,(H,8,9) |
| InChIKey | HHWCIVCTIKHBFV-UHFFFAOYSA-N |
| Mol Weight | 191.25 g/mol |
| Molecular Formula | C7H13NO3S |
| Exact Mass | 191.061614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G6duzQ1EhrN |
|---|---|
| Name | o-Ethyl 3-[(methoxycarbonyl)amino]propane-1-thioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.061614454 u |
| Formula | C7H13NO3S |
| InChI | InChI=1S/C7H13NO3S/c1-3-11-6(12)4-5-8-7(9)10-2/h3-5H2,1-2H3,(H,8,9) |
| InChIKey | HHWCIVCTIKHBFV-UHFFFAOYSA-N |
| Molecular Weight | 191.245 g/mol |
| SMILES | C(CCNC(=O)OC)(OCC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886421 |