| SpectraBase Compound ID | 6EQcG4QJzwF |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-12(2,3)11(13)15-10-7-5-9(14-4)6-8-10/h5-8H,1-4H3 |
| InChIKey | ASIMJPKPWCJCKI-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8A4HBetUXEO |
|---|---|
| Name | Propanoic acid, 2,2-dimethyl-, 4-methoxyphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-12(2,3)11(13)15-10-7-5-9(14-4)6-8-10/h5-8H,1-4H3 |
| InChIKey | ASIMJPKPWCJCKI-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(=O)C(C)(C)C)OC |
| Spectrum/Structure Validation Score (Raman) | 0.826669 |