| SpectraBase Compound ID | LBc722RFTFQ |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-3-5-6-7-8-9-13-19-15(17)11-10-14(16)18-12-4-2/h10-11H,3-9,12-13H2,1-2H3/b11-10+ |
| InChIKey | PHSCWTVIJYZUSA-ZHACJKMWSA-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 | GxPW3BSdW3C |
|---|---|
| Name | Fumaric acid, octyl propyl 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/c1-3-5-6-7-8-9-13-19-15(17)11-10-14(16)18-12-4-2/h10-11H,3-9,12-13H2,1-2H3/b11-10+ |
| InChIKey | PHSCWTVIJYZUSA-ZHACJKMWSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(\C=C\C(OCCC)=O)(OCCCCCCCC)=O |