| SpectraBase Compound ID | 85hJWqdFhbZ |
|---|---|
| InChI | InChI=1S/C6H10OS/c1-3-5-7-6(8)4-2/h3H,1,4-5H2,2H3 |
| InChIKey | OMAZLJGMUJNNMU-UHFFFAOYSA-N |
| Mol Weight | 130.2 g/mol |
| Molecular Formula | C6H10OS |
| Exact Mass | 130.045236 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CZ0pmi3SHLW |
|---|---|
| Name | Allyl thiopropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.045236115 u |
| Formula | C6H10OS |
| InChI | InChI=1S/C6H10OS/c1-3-5-7-6(8)4-2/h3H,1,4-5H2,2H3 |
| InChIKey | OMAZLJGMUJNNMU-UHFFFAOYSA-N |
| Molecular Weight | 130.205 g/mol |
| SMILES | C(CC)(OCC=C)=S |
| Spectrum/Structure Validation Score (Raman) | 0.898673 |