![3-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoic acid methyl ester](/api/spectrum/Io83w35RIqp/structure.png?h=300&w=458 "3-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoic acid methyl ester")
| SpectraBase Compound ID | C7LPcw2EjVc |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-15-11(13)7-6-9-4-3-5-10(8-9)12(14)16-2/h3-8H,1-2H3/b7-6+ |
| InChIKey | XPSVBFWYSAVLGD-VOTSOKGWSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Io83w35RIqp |
|---|---|
| Name | 3-[(E)-3-Keto-3-methoxy-prop-1-enyl]benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-15-11(13)7-6-9-4-3-5-10(8-9)12(14)16-2/h3-8H,1-2H3/b7-6+ |
| InChIKey | XPSVBFWYSAVLGD-VOTSOKGWSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C(C1=CC(\C=C\C(=O)OC)=CC=C1)(=O)OC |