| SpectraBase Compound ID | 5QxPpRvgFSn |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | MGZFVSUXQXCEHM-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 | l0IuD8otQk |
|---|---|
| Name | Phenoxyacetic acid, ethyl 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/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | MGZFVSUXQXCEHM-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C=1C(=CC=CC1)OCC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.877956 |