| SpectraBase Compound ID | DjxFRJV5Xwc |
|---|---|
| InChI | InChI=1S/C18H22O5/c1-2-3-4-5-8-13-22-17(20)11-12-18(21)23-16-10-7-6-9-15(16)14-19/h6-7,9-12,14H,2-5,8,13H2,1H3/b12-11+ |
| InChIKey | AUCKFQKLVZRVQE-VAWYXSNFSA-N |
| Mol Weight | 318.37 g/mol |
| Molecular Formula | C18H22O5 |
| Exact Mass | 318.146724 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 | 402ONOPPcir |
|---|---|
| Name | Fumaric acid, 2-formylphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.146723803 u |
| Formula | C18H22O5 |
| InChI | InChI=1S/C18H22O5/c1-2-3-4-5-8-13-22-17(20)11-12-18(21)23-16-10-7-6-9-15(16)14-19/h6-7,9-12,14H,2-5,8,13H2,1H3/b12-11+ |
| InChIKey | AUCKFQKLVZRVQE-VAWYXSNFSA-N |
| Molecular Weight | 318.369 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)C=O)=O)(OCCCCCCC)=O |