| SpectraBase Compound ID | 9a73tBICCI3 |
|---|---|
| InChI | InChI=1S/C26H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-22-26(28)30-24(3)20-18-7-5-2/h21-22,24H,4-20,23H2,1-3H3/b22-21+ |
| InChIKey | QMIURAQSLKAJKK-QURGRASLSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C26H48O4 |
| Exact Mass | 424.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gpw63QbKLkD |
|---|---|
| Name | Fumaric acid, 2-heptyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.355260022 u |
| Formula | C26H48O4 |
| InChI | InChI=1S/C26H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-22-26(28)30-24(3)20-18-7-5-2/h21-22,24H,4-20,23H2,1-3H3/b22-21+ |
| InChIKey | QMIURAQSLKAJKK-QURGRASLSA-N |
| Molecular Weight | 424.666 g/mol |
| SMILES | C(OC(C)CCCCC)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |