| SpectraBase Compound ID | Bg2YFVZpyx7 |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-2-14-8-9-15-12(13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | KMPFAFQBQPRZSB-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2fxpElbZciS |
|---|---|
| Name | Phenylacetic acid, 2-ethoxyethyl 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/c1-2-14-8-9-15-12(13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | KMPFAFQBQPRZSB-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=CC=CC=C1CC(=O)OCCOCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981236 |