| SpectraBase Compound ID | CEHAECjvY11 |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-4-17-12(14)9-8-10-6-5-7-11(15-2)13(10)16-3/h5-7H,4,8-9H2,1-3H3 |
| InChIKey | SLDGGTLYQAVFLQ-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kt5dHQ3Ohfd |
|---|---|
| Name | Ethyl 3-(3,4-dimethoxyphenyl)propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-4-17-12(14)9-8-10-6-5-7-11(15-2)13(10)16-3/h5-7H,4,8-9H2,1-3H3 |
| InChIKey | SLDGGTLYQAVFLQ-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C1(=C(CCC(=O)OCC)C=CC=C1OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.97153 |