| SpectraBase Compound ID | 2VtyCeN9xek |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-3-15-12-8-5-11(6-9-12)7-10-13(14)16-4-2/h5-10H,3-4H2,1-2H3/b10-7- |
| InChIKey | XFRWZVXVZIQXFI-YFHOEESVSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FKZ6ZHkIZV |
|---|---|
| Name | 2-Propenoic acid, 3-(4-ethoxyphenyl)-, ethyl ester, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-3-15-12-8-5-11(6-9-12)7-10-13(14)16-4-2/h5-10H,3-4H2,1-2H3/b10-7- |
| InChIKey | XFRWZVXVZIQXFI-YFHOEESVSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(\C=C/C=1C=CC(=CC1)OCC)(=O)OCC |