| SpectraBase Compound ID | IhnQT33hVwl |
|---|---|
| InChI | InChI=1S/C6H9NO2S/c1-2-9-6(8)3-4-7-5-10/h2-4H2,1H3 |
| InChIKey | UPTRONYNXNYITM-UHFFFAOYSA-N |
| Mol Weight | 159.2 g/mol |
| Molecular Formula | C6H9NO2S |
| Exact Mass | 159.0354 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E7jKZy4DBNh |
|---|---|
| Name | Ethyl 3-isothiocyanatopropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.035399706 u |
| Formula | C6H9NO2S |
| InChI | InChI=1S/C6H9NO2S/c1-2-9-6(8)3-4-7-5-10/h2-4H2,1H3 |
| InChIKey | UPTRONYNXNYITM-UHFFFAOYSA-N |
| Molecular Weight | 159.203 g/mol |
| SMILES | C(N=C=S)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921425 |