SpectraBase Compound ID | JdfWll71s5J |
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InChI | InChI=1S/C10H12O3S/c1-12-8-5-9(13-2)10(14-3)4-7(8)6-11/h4-6H,1-3H3 |
InChIKey | FOHQCGFVAVHIAE-UHFFFAOYSA-N |
Mol Weight | 212.26 g/mol |
Molecular Formula | C10H12O3S |
Exact Mass | 212.050715 g/mol |
SpectraBase Spectrum ID | C4bHTZwDWpJ |
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Name | 2,4-Dimethoxy-5-(methylthio)benzaldehyde |
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/c1-12-8-5-9(13-2)10(14-3)4-7(8)6-11/h4-6H,1-3H3 |
InChIKey | FOHQCGFVAVHIAE-UHFFFAOYSA-N |
Molecular Weight | 212.263 g/mol |
SMILES | C=1C(=C(C=C(C1SC)OC)OC)C=O |
Spectrum/Structure Validation Score (Raman) | 0.901575 |