| SpectraBase Compound ID | EpeL70mmNO3 |
|---|---|
| InChI | InChI=1S/C9H10OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-7H,4,8H2 |
| InChIKey | WPKQWNJKYYXGJZ-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 | A8BtUbpC2hd |
|---|---|
| Name | 3-(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/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-7H,4,8H2 |
| InChIKey | WPKQWNJKYYXGJZ-UHFFFAOYSA-N |
| Molecular Weight | 166.238 g/mol |
| SMILES | C(CCSC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887997 |