| SpectraBase Compound ID | AEcuLbg64Vw |
|---|---|
| InChI | InChI=1S/C17H18O2S/c18-13-17(20-16-9-5-2-6-10-16)11-12-19-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14H2 |
| InChIKey | MBZQTOPBNBHTFG-UHFFFAOYSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C17H18O2S |
| Exact Mass | 286.102751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JqxaQMWgGGV |
|---|---|
| Name | 4-(Benzyloxy)-2-(phenylthio)butanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.102750992 u |
| Formula | C17H18O2S |
| InChI | InChI=1S/C17H18O2S/c18-13-17(20-16-9-5-2-6-10-16)11-12-19-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14H2 |
| InChIKey | MBZQTOPBNBHTFG-UHFFFAOYSA-N |
| SMILES | C1(SC(C=O)CCOCC=2C=CC=CC2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926345 |