| SpectraBase Compound ID | BXyoof0ln5b |
|---|---|
| InChI | InChI=1S/C14H24O5/c1-4-5-9-18-13(15)6-7-14(16)19-11-12(2)8-10-17-3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+ |
| InChIKey | YVIYCIJKSHKSIK-VOTSOKGWSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C14H24O5 |
| Exact Mass | 272.162374 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 | Ea8kP9JKeFu |
|---|---|
| Name | Fumaric acid, butyl 2-methyl-4-methoxybutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.162373868 u |
| Formula | C14H24O5 |
| InChI | InChI=1S/C14H24O5/c1-4-5-9-18-13(15)6-7-14(16)19-11-12(2)8-10-17-3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+ |
| InChIKey | YVIYCIJKSHKSIK-VOTSOKGWSA-N |
| Molecular Weight | 272.341 g/mol |
| SMILES | C(COC(\C=C\C(=O)OCCCC)=O)(CCOC)C |