| SpectraBase Compound ID | Ibvuyuvsody |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-8H,1H3 |
| InChIKey | YQORRZVFWPFOOV-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C9H10OS |
| Exact Mass | 166.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LK3ESSMk9Bx |
|---|---|
| Name | 2-(Phenylthio)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.045236115 u |
| Formula | C9H10OS |
| InChI | InChI=1S/C9H10OS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-8H,1H3 |
| InChIKey | YQORRZVFWPFOOV-UHFFFAOYSA-N |
| Molecular Weight | 166.238 g/mol |
| SMILES | C=1(SC(C=O)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943587 |