| SpectraBase Compound ID | K2xbVFjVTOc |
|---|---|
| InChI | InChI=1S/C15H20O3S/c16-13(7-8-15-17-10-4-11-18-15)9-12-19-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-12H2 |
| InChIKey | RWFOXYJVFJBSGK-UHFFFAOYSA-N |
| Mol Weight | 280.38 g/mol |
| Molecular Formula | C15H20O3S |
| Exact Mass | 280.113316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6QzfnlbsLZw |
|---|---|
| Name | 1-(1,3-Dioxan-2-yl)-5-(phenylthio)-3-pentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.113315675 u |
| Formula | C15H20O3S |
| InChI | InChI=1S/C15H20O3S/c16-13(7-8-15-17-10-4-11-18-15)9-12-19-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-12H2 |
| InChIKey | RWFOXYJVFJBSGK-UHFFFAOYSA-N |
| SMILES | C1(OCCCO1)CCC(=O)CCSC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874521 |