| SpectraBase Compound ID | FqNqn8pPcEj |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-5-6-7-8-11-18-13(16)9-10-14(17)19-12-15(2,3)4/h9-10H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey | BGSRDVWGGNNPNK-MDZDMXLPSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWKzPsESkYb |
|---|---|
| Name | Fumaric acid, hexyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.183109313 u |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-5-6-7-8-11-18-13(16)9-10-14(17)19-12-15(2,3)4/h9-10H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey | BGSRDVWGGNNPNK-MDZDMXLPSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(OC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCC |