| SpectraBase Compound ID | GNRzKoNZlQC |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-9(2)8-16-12(14)6-7-13(15)17-11(5)10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+ |
| InChIKey | ZHEDLCBRFSJDCE-VOTSOKGWSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 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 | 7Z7zRyVwo2H |
|---|---|
| Name | Fumaric acid, isobutyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-9(2)8-16-12(14)6-7-13(15)17-11(5)10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+ |
| InChIKey | ZHEDLCBRFSJDCE-VOTSOKGWSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCC(C)C)=O |