| SpectraBase Compound ID | DL1U4rc9T3d |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-4-6-7-8-9-13(3)19-15(17)11-10-14(16)18-12-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+ |
| InChIKey | XUKZXNVRQXVXJK-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 | 7IxksY0NGR8 |
|---|---|
| Name | Fumaric acid, 2-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/c1-4-6-7-8-9-13(3)19-15(17)11-10-14(16)18-12-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+ |
| InChIKey | XUKZXNVRQXVXJK-ZHACJKMWSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(\C=C\C(OC(CCCCCC)C)=O)(OCCC)=O |