| SpectraBase Compound ID | 3Pe3E1l1Pwu |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-5-7-9-11-12-13-15-17-19-23-29-25(27)21-20-24(26)28-22-18-16-14-10-8-6-4-2/h20-21H,3-19,22-23H2,1-2H3/b21-20+ |
| InChIKey | GLGSZVISRDLLRP-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 | 4Jt1Proyz31 |
|---|---|
| Name | Fumaric acid, dodecyl nonyl 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/c1-3-5-7-9-11-12-13-15-17-19-23-29-25(27)21-20-24(26)28-22-18-16-14-10-8-6-4-2/h20-21H,3-19,22-23H2,1-2H3/b21-20+ |
| InChIKey | GLGSZVISRDLLRP-QZQOTICOSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCCCCCOC(\C=C\C(OCCCCCCCCC)=O)=O)CCCCC |