| SpectraBase Compound ID | 4kEpSHab93N |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-3-4-5-6-13-22-17(19)11-12-18(20)23-14-15-7-9-16(21-2)10-8-15/h7-12H,3-6,13-14H2,1-2H3/b12-11+ |
| InChIKey | ZFMZNWJIDWKHIQ-VAWYXSNFSA-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 | 4thJudc7pZK |
|---|---|
| Name | Fumaric acid, hexyl 4-methoxybenzyl 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/c1-3-4-5-6-13-22-17(19)11-12-18(20)23-14-15-7-9-16(21-2)10-8-15/h7-12H,3-6,13-14H2,1-2H3/b12-11+ |
| InChIKey | ZFMZNWJIDWKHIQ-VAWYXSNFSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(OC)C=C1)=O)(OCCCCCC)=O |