| SpectraBase Compound ID | K3YWmnBD5OF |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-5-7-11(3)17-13(15)9-10-14(16)18-12(4)8-6-2/h9-12H,5-8H2,1-4H3/b10-9+ |
| InChIKey | DJOLQBLYDDQTSY-MDZDMXLPSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpxtDcgBrVK |
|---|---|
| Name | Fumaric acid, di(2-pentyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-5-7-11(3)17-13(15)9-10-14(16)18-12(4)8-6-2/h9-12H,5-8H2,1-4H3/b10-9+ |
| InChIKey | DJOLQBLYDDQTSY-MDZDMXLPSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(C(OC(\C=C\C(OC(CCC)C)=O)=O)C)CC |