| SpectraBase Compound ID | DokVz0tEEc5 |
|---|---|
| InChI | InChI=1S/C5H7NOS/c1-5(7)2-3-8-4-6/h2-3H2,1H3 |
| InChIKey | HZNSYFMLHIFKKR-UHFFFAOYSA-N |
| Mol Weight | 129.18 g/mol |
| Molecular Formula | C5H7NOS |
| Exact Mass | 129.024835 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | hnOluN8UKP |
|---|---|
| Name | Thiocyanic acid,3-oxobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.024835022 u |
| Formula | C5H7NOS |
| InChI | InChI=1S/C5H7NOS/c1-5(7)2-3-8-4-6/h2-3H2,1H3 |
| InChIKey | HZNSYFMLHIFKKR-UHFFFAOYSA-N |
| SMILES | CC(CCSC#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952659 |