| SpectraBase Compound ID | J1J59JzhSPL |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-12-9-5-8(14-3)4-7(6-11)10(9)13-2/h4-6H,1-3H3 |
| InChIKey | UWCLTMTYRSIJOT-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DnBUacVrFsA |
|---|---|
| Name | Benzaldehyde, 2,3-dimethoxy-5-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.050715417 u |
| Formula | C10H12O3S |
| InChI | InChI=1S/C10H12O3S/c1-12-9-5-8(14-3)4-7(6-11)10(9)13-2/h4-6H,1-3H3 |
| InChIKey | UWCLTMTYRSIJOT-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C=1(C(=C(OC)C=C(C1)SC)OC)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90642 |