| SpectraBase Compound ID | 3e83xd6fNSy |
|---|---|
| InChI | InChI=1S/C12H18O2S/c1-3-13-12(14-4-2)10-15-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey | XGVOYFSWJOHTFC-UHFFFAOYSA-N |
| Mol Weight | 226.33 g/mol |
| Molecular Formula | C12H18O2S |
| Exact Mass | 226.102751 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BwxOFM0rNdF |
|---|---|
| Name | (Phenylthio)acetaldehyde, diethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.102750992 u |
| Formula | C12H18O2S |
| InChI | InChI=1S/C12H18O2S/c1-3-13-12(14-4-2)10-15-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey | XGVOYFSWJOHTFC-UHFFFAOYSA-N |
| Molecular Weight | 226.334 g/mol |
| SMILES | C=1C(=CC=CC1)SCC(OCC)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.977125 |