| SpectraBase Compound ID | FMJcXXaLq3n |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-11(2)9-17-13(15)7-8-14(16)18-10-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+ |
| InChIKey | DCTNGJRTPXKWOH-BQYQJAHWSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIIuUUjgivh |
|---|---|
| Name | Fumaric acid, cyclopentylmethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-11(2)9-17-13(15)7-8-14(16)18-10-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+ |
| InChIKey | DCTNGJRTPXKWOH-BQYQJAHWSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(\C=C\C(OCC1CCCC1)=O)(OCC(C)C)=O |