| SpectraBase Compound ID | Fvay1A3k47p |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-9-4-6-10(7-5-9)13-11(2,3)8-12/h4-8H,1-3H3 |
| InChIKey | HFXCGBGFFHWILR-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AXCkvoqqocc |
|---|---|
| Name | 2-Methyl-2-(p-tolylsulfanyl)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c1-9-4-6-10(7-5-9)13-11(2,3)8-12/h4-8H,1-3H3 |
| InChIKey | HFXCGBGFFHWILR-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C(SC=1C=CC(=CC1)C)(C=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94806 |