| SpectraBase Compound ID | YV52Tzm7kL |
|---|---|
| InChI | InChI=1S/C22H31FO4/c1-2-3-4-5-6-7-8-9-10-11-17-26-21(24)15-16-22(25)27-20-14-12-13-19(23)18-20/h12-16,18H,2-11,17H2,1H3/b16-15+ |
| InChIKey | LPYYBSZMEWGOBF-FOCLMDBBSA-N |
| Mol Weight | 378.48 g/mol |
| Molecular Formula | C22H31FO4 |
| Exact Mass | 378.220638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHCaJgkyfjG |
|---|---|
| Name | Fumaric acid, dodecyl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.220637637 u |
| Formula | C22H31FO4 |
| InChI | InChI=1S/C22H31FO4/c1-2-3-4-5-6-7-8-9-10-11-17-26-21(24)15-16-22(25)27-20-14-12-13-19(23)18-20/h12-16,18H,2-11,17H2,1H3/b16-15+ |
| InChIKey | LPYYBSZMEWGOBF-FOCLMDBBSA-N |
| Molecular Weight | 378.484 g/mol |
| SMILES | C(OC1=CC=CC(=C1)F)(\C=C\C(OCCCCCCCCCCCC)=O)=O |