| SpectraBase Compound ID | 6h3n92IX0vo |
|---|---|
| InChI | InChI=1S/C14H16O5/c1-18-12-7-4-10(9-13(12)19-2)3-5-11(15)6-8-14(16)17/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)/b5-3+ |
| InChIKey | LWVLDMUWGLSASG-HWKANZROSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C14H16O5 |
| Exact Mass | 264.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjA19X3dwo0 |
|---|---|
| Name | (E)-6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.099773610 u |
| Formula | C14H16O5 |
| InChI | InChI=1S/C14H16O5/c1-18-12-7-4-10(9-13(12)19-2)3-5-11(15)6-8-14(16)17/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)/b5-3+ |
| InChIKey | LWVLDMUWGLSASG-HWKANZROSA-N |
| Molecular Weight | 264.277 g/mol |
| SMILES | C=1(C(=CC=C(\C=C\C(=O)CCC(=O)O)C1)OC)OC |