| SpectraBase Compound ID | 96xcLD4v4ld |
|---|---|
| InChI | InChI=1S/C8H15NOS/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3 |
| InChIKey | XIVRQWGPOVHYJI-UHFFFAOYSA-N |
| Mol Weight | 173.27 g/mol |
| Molecular Formula | C8H15NOS |
| Exact Mass | 173.087435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 79z5KHbj4q0 |
|---|---|
| Name | N,N-Diethylcarbamothioic acid S-prop-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.087435280 u |
| Formula | C8H15NOS |
| InChI | InChI=1S/C8H15NOS/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3 |
| InChIKey | XIVRQWGPOVHYJI-UHFFFAOYSA-N |
| Molecular Weight | 173.274 g/mol |
| SMILES | C(N(CC)CC)(=O)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856692 |