| SpectraBase Compound ID | JXb9b0qChBQ |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(26)19-20-24(27)29-22-25(2,3)4/h19-20H,5-18,21-22H2,1-4H3/b20-19+ |
| InChIKey | KGFHWEGHNWJPSL-FMQUCBEESA-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 | BgLDJCsW6KK |
|---|---|
| Name | Fumaric acid, hexadecyl neopentyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(26)19-20-24(27)29-22-25(2,3)4/h19-20H,5-18,21-22H2,1-4H3/b20-19+ |
| InChIKey | KGFHWEGHNWJPSL-FMQUCBEESA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCCCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCC |