| SpectraBase Compound ID | 9bFNIOj8EZJ |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-4-6-8-9-10-11-12-13-14-15-16-18-22-28-24(26)20-21-25(27)29-23(3)19-17-7-5-2/h20-21,23H,4-19,22H2,1-3H3/b21-20+ |
| InChIKey | MAWDLNKKJDBANT-QZQOTICOSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ja09FaVAh9u |
|---|---|
| Name | Fumaric acid, 2-heptyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-4-6-8-9-10-11-12-13-14-15-16-18-22-28-24(26)20-21-25(27)29-23(3)19-17-7-5-2/h20-21,23H,4-19,22H2,1-3H3/b21-20+ |
| InChIKey | MAWDLNKKJDBANT-QZQOTICOSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(OC(C)CCCCC)(\C=C\C(OCCCCCCCCCCCCCC)=O)=O |