| SpectraBase Compound ID | HFJmF59hQUK |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-12(2)14(5)22-17(19)10-11-18(20)23-16-9-7-6-8-15(16)21-13(3)4/h6-14H,1-5H3/b11-10+ |
| InChIKey | YXRVIAKLEYRIQT-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 | Ln3mWnnPRt9 |
|---|---|
| Name | Fumaric acid, 2-isopropoxyphenyl 3-methylbut-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/c1-12(2)14(5)22-17(19)10-11-18(20)23-16-9-7-6-8-15(16)21-13(3)4/h6-14H,1-5H3/b11-10+ |
| InChIKey | YXRVIAKLEYRIQT-ZHACJKMWSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OC1=C(C=CC=C1)OC(C)C)=O |