| SpectraBase Compound ID | Jcnf8o3YePE |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-2-9-16-12(14)7-8-13(15)17-10-11-5-3-4-6-11/h7-8,11H,2-6,9-10H2,1H3/b8-7+ |
| InChIKey | NPASZZDRZGJYNY-BQYQJAHWSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Gil8EmvAkP |
|---|---|
| Name | Fumaric acid, cyclopentylmethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-2-9-16-12(14)7-8-13(15)17-10-11-5-3-4-6-11/h7-8,11H,2-6,9-10H2,1H3/b8-7+ |
| InChIKey | NPASZZDRZGJYNY-BQYQJAHWSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C(OCC1CCCC1)(\C=C\C(OCCC)=O)=O |