| SpectraBase Compound ID | 3AG0RmSuqi |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-14(2)5-4-12-22-17(19)10-11-18(20)23-13-15-6-8-16(21-3)9-7-15/h6-11,14H,4-5,12-13H2,1-3H3/b11-10+ |
| InChIKey | YWBYLCZLYJJIQZ-ZHACJKMWSA-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 | 3Fjkn8Q9CXX |
|---|---|
| Name | Fumaric acid, isohexyl 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/c1-14(2)5-4-12-22-17(19)10-11-18(20)23-13-15-6-8-16(21-3)9-7-15/h6-11,14H,4-5,12-13H2,1-3H3/b11-10+ |
| InChIKey | YWBYLCZLYJJIQZ-ZHACJKMWSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(OC(\C=C\C(OCC1=CC=C(OC)C=C1)=O)=O)CCC(C)C |