| SpectraBase Compound ID | 6hySPydoJ4o |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h4-7H,3H2,1-2H3 |
| InChIKey | QAYQKAPOTVSWLS-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IkZV5Vujcb1 |
|---|---|
| Name | o-Ethoxybenzoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h4-7H,3H2,1-2H3 |
| InChIKey | QAYQKAPOTVSWLS-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1=C(C(=CC=C1)OCC)C(=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.782585 |