| SpectraBase Compound ID | JzfkKbt4MuS |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)17-18-23(25)27-20-15-16-21(2)3/h17-18,21H,4-16,19-20H2,1-3H3/b18-17+ |
| InChIKey | MQOYZZBFXRGHMQ-ISLYRVAYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWjsbCR8JHV |
|---|---|
| Name | Fumaric acid, isohexyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)17-18-23(25)27-20-15-16-21(2)3/h17-18,21H,4-16,19-20H2,1-3H3/b18-17+ |
| InChIKey | MQOYZZBFXRGHMQ-ISLYRVAYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(\C=C\C(OCCCC(C)C)=O)(OCCCCCCCCCCCCC)=O |