| SpectraBase Compound ID | Ks0X1xSd5hy |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-6-7-8-9-12-20-16(18)10-11-17(19)21-15(4)13-14(2)3/h10-11,14-15H,5-9,12-13H2,1-4H3/b11-10+ |
| InChIKey | NFMFRPZBNLSLIH-ZHACJKMWSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICWCs5HBs2P |
|---|---|
| Name | Fumaric acid, heptyl 4-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-6-7-8-9-12-20-16(18)10-11-17(19)21-15(4)13-14(2)3/h10-11,14-15H,5-9,12-13H2,1-4H3/b11-10+ |
| InChIKey | NFMFRPZBNLSLIH-ZHACJKMWSA-N |
| SMILES | C(OC(C)CC(C)C)(\C=C\C(OCCCCCCC)=O)=O |