| SpectraBase Compound ID | LlIzPXU1gcE |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-2-3-10-17-13(15)8-9-14(16)18-11-12-6-4-5-7-12/h8-9,12H,2-7,10-11H2,1H3/b9-8+ |
| InChIKey | CXMTXWRGRTZQEB-CMDGGOBGSA-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 | HjRrXEFZk92 |
|---|---|
| Name | Fumaric acid, butyl cyclopentylmethyl 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/c1-2-3-10-17-13(15)8-9-14(16)18-11-12-6-4-5-7-12/h8-9,12H,2-7,10-11H2,1H3/b9-8+ |
| InChIKey | CXMTXWRGRTZQEB-CMDGGOBGSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(\C=C\C(OCC1CCCC1)=O)(OCCCC)=O |