| SpectraBase Compound ID | 5QFdgPmdwjr |
|---|---|
| InChI | InChI=1S/C14H24O5/c1-3-5-6-7-10-18-13(15)8-9-14(16)19-12-11-17-4-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+ |
| InChIKey | BWPRQCPUPWQIRO-CMDGGOBGSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C14H24O5 |
| Exact Mass | 272.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 588N6aKPGFR |
|---|---|
| Name | Fumaric acid, 2-ethoxyethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.162373868 u |
| Formula | C14H24O5 |
| InChI | InChI=1S/C14H24O5/c1-3-5-6-7-10-18-13(15)8-9-14(16)19-12-11-17-4-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+ |
| InChIKey | BWPRQCPUPWQIRO-CMDGGOBGSA-N |
| Molecular Weight | 272.341 g/mol |
| SMILES | C(\C=C\C(OCCOCC)=O)(OCCCCCC)=O |