| SpectraBase Compound ID | 8I7BcnASSVr |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(24)18-19-23(25)27-21(3)5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+ |
| InChIKey | MXEXYKONXBTJMF-VHEBQXMUSA-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 | BwJ4a0SXtlZ |
|---|---|
| Name | Fumaric acid, 2-butyl pentadecyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(24)18-19-23(25)27-21(3)5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+ |
| InChIKey | MXEXYKONXBTJMF-VHEBQXMUSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCCCCCC)=O)(OC(CC)C)=O |