| SpectraBase Compound ID | 1TsdkfXVPqS |
|---|---|
| InChI | InChI=1S/C19H25FO4/c1-2-3-4-5-6-7-10-15-23-18(21)13-14-19(22)24-17-12-9-8-11-16(17)20/h8-9,11-14H,2-7,10,15H2,1H3/b14-13+ |
| InChIKey | DOJPMIRFQLUJAL-BUHFOSPRSA-N |
| Mol Weight | 336.4 g/mol |
| Molecular Formula | C19H25FO4 |
| Exact Mass | 336.173687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDqXLWNRRFC |
|---|---|
| Name | Fumaric acid, 2-fluorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.173687444 u |
| Formula | C19H25FO4 |
| InChI | InChI=1S/C19H25FO4/c1-2-3-4-5-6-7-10-15-23-18(21)13-14-19(22)24-17-12-9-8-11-16(17)20/h8-9,11-14H,2-7,10,15H2,1H3/b14-13+ |
| InChIKey | DOJPMIRFQLUJAL-BUHFOSPRSA-N |
| Molecular Weight | 336.403 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(\C=C\C(OCCCCCCCCC)=O)=O)F |