| SpectraBase Compound ID | KtJD3wYVFmr |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-2-3-4-5-8-13-20-16(18)11-12-17(19)21-14-15-9-6-7-10-15/h11-12,15H,2-10,13-14H2,1H3/b12-11+ |
| InChIKey | MBYGSWHGTFECSH-VAWYXSNFSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IoAVKdensk |
|---|---|
| Name | Fumaric acid, cyclopentylmethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-2-3-4-5-8-13-20-16(18)11-12-17(19)21-14-15-9-6-7-10-15/h11-12,15H,2-10,13-14H2,1H3/b12-11+ |
| InChIKey | MBYGSWHGTFECSH-VAWYXSNFSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(\C=C\C(OCC1CCCC1)=O)(OCCCCCCC)=O |