![4-Methoxy-3-[(4-methoxyphenyl)methyl]-4-oxobutanoic acid](/api/spectrum/DTGQZL3IqaB/structure.png?h=300&w=458 "4-Methoxy-3-[(4-methoxyphenyl)methyl]-4-oxobutanoic acid")
| SpectraBase Compound ID | JytKoId8chi |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-17-11-5-3-9(4-6-11)7-10(8-12(14)15)13(16)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | HKMQODAJOVBRJT-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTGQZL3IqaB |
|---|---|
| Name | 4-Methoxy-3-[(4-methoxyphenyl)methyl]-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-17-11-5-3-9(4-6-11)7-10(8-12(14)15)13(16)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | HKMQODAJOVBRJT-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C1=C(C=CC(=C1)CC(CC(O)=O)C(OC)=O)OC |