| SpectraBase Compound ID | LSsO508R3bb |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-4-5-6-7-14(2)22-17(19)12-13-18(20)23-16-10-8-15(21-3)9-11-16/h8-14H,4-7H2,1-3H3/b13-12+ |
| InChIKey | KYPMHSBPMAMSKD-OUKQBFOZSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 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 | 1br4xrY04Zy |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-4-5-6-7-14(2)22-17(19)12-13-18(20)23-16-10-8-15(21-3)9-11-16/h8-14H,4-7H2,1-3H3/b13-12+ |
| InChIKey | KYPMHSBPMAMSKD-OUKQBFOZSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC1=CC=C(C=C1)OC)=O |