| SpectraBase Compound ID | EUZ4vJZRFV6 |
|---|---|
| InChI | InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3 |
| InChIKey | NCNSBFDGXBKAKB-UHFFFAOYSA-N |
| Mol Weight | 90.14 g/mol |
| Molecular Formula | C3H6OS |
| Exact Mass | 90.013936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HvyFnWMmRqc |
|---|---|
| Name | 2-(Methylthio)acetaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 90.013935986 u |
| Formula | C3H6OS |
| InChI | InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3 |
| InChIKey | NCNSBFDGXBKAKB-UHFFFAOYSA-N |
| Molecular Weight | 90.140 g/mol |
| SMILES | C(CSC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918317 |