| SpectraBase Compound ID | E63kiybaTkj |
|---|---|
| InChI | InChI=1S/C14H16O4/c15-14(16)6-4-2-1-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,1-2,4,6,10H2,(H,15,16)/b5-3+ |
| InChIKey | RNNKGYSBTAQFFE-HWKANZROSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1N5PQ82i8ax |
|---|---|
| Name | 7-(3',4'-Methylenedioxyphenyl)-6-E-heptenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c15-14(16)6-4-2-1-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,1-2,4,6,10H2,(H,15,16)/b5-3+ |
| InChIKey | RNNKGYSBTAQFFE-HWKANZROSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C12=C(OCO2)C=CC(\C=C\CCCCC(=O)O)=C1 |