| SpectraBase Compound ID | 9bYlFXIWdDH |
|---|---|
| InChI | InChI=1S/C11H14O4/c1-6-5-8(14-3)7(2)10(12)9(6)11(13)15-4/h5,12H,1-4H3 |
| InChIKey | DYMZNDLKDACCFJ-UHFFFAOYSA-N |
| Mol Weight | 210.23 g/mol |
| Molecular Formula | C11H14O4 |
| Exact Mass | 210.089209 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6sJvYcwW9AS |
|---|---|
| Name | 3,6-Dimethyl-2-hydroxy-p-anisic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.089208927 u |
| Formula | C11H14O4 |
| InChI | InChI=1S/C11H14O4/c1-6-5-8(14-3)7(2)10(12)9(6)11(13)15-4/h5,12H,1-4H3 |
| InChIKey | DYMZNDLKDACCFJ-UHFFFAOYSA-N |
| Molecular Weight | 210.229 g/mol |
| SMILES | OC1=C(C(=CC(=C1C)OC)C)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.917315 |