| SpectraBase Compound ID | W2bhjaV49C |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-3-4-5-6-7-14-22-17(19)12-13-18(20)23-16-10-8-15(21-2)9-11-16/h8-13H,3-7,14H2,1-2H3/b13-12+ |
| InChIKey | ZLGZILRFBMRQPP-OUKQBFOZSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3b5Ysc6Ugc |
|---|---|
| Name | Fumaric acid, heptyl 4-methoxyphenyl 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/c1-3-4-5-6-7-14-22-17(19)12-13-18(20)23-16-10-8-15(21-2)9-11-16/h8-13H,3-7,14H2,1-2H3/b13-12+ |
| InChIKey | ZLGZILRFBMRQPP-OUKQBFOZSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | CCCCCCCOC(\C=C\C(OC1=CC=C(C=C1)OC)=O)=O |