| SpectraBase Compound ID | JzQTNy1Cd0D |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-3-11(13)12(9-14-2)15-10-7-5-4-6-8-10/h3-8,12H,1,9H2,2H3 |
| InChIKey | GUKMIHFVCCGGES-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KZgMRijMjDF |
|---|---|
| Name | 5-Methoxy-4-(phenylthio)penten-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.071450863 u |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-3-11(13)12(9-14-2)15-10-7-5-4-6-8-10/h3-8,12H,1,9H2,2H3 |
| InChIKey | GUKMIHFVCCGGES-UHFFFAOYSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C(SC1=CC=CC=C1)(C(C=C)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822927 |