| SpectraBase Compound ID | 1ObuU7CpHus |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-14-9-10-15-12(13)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | AYVZGBWRAVIYEQ-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 | 5C2fWVOkCX9 |
|---|---|
| Name | 3-Phenylpropionic acid, 2-methoxyethyl 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/c1-14-9-10-15-12(13)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | AYVZGBWRAVIYEQ-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(CC1=CC=CC=C1)C(=O)OCCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964575 |