| SpectraBase Compound ID | GNoRKDeTzAk |
|---|---|
| InChI | InChI=1S/C10H12OS/c1-2-9(8-11)12-10-6-4-3-5-7-10/h3-9H,2H2,1H3 |
| InChIKey | GGNZCXGNPWLDAK-UHFFFAOYSA-N |
| Mol Weight | 180.26 g/mol |
| Molecular Formula | C10H12OS |
| Exact Mass | 180.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IiBfiI2SEHp |
|---|---|
| Name | 2-(Phenylthio)butyraldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.060886179 u |
| Formula | C10H12OS |
| InChI | InChI=1S/C10H12OS/c1-2-9(8-11)12-10-6-4-3-5-7-10/h3-9H,2H2,1H3 |
| InChIKey | GGNZCXGNPWLDAK-UHFFFAOYSA-N |
| Molecular Weight | 180.265 g/mol |
| SMILES | C=1(SC(C=O)CC)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919685 |