| SpectraBase Compound ID | 5mLCVvR28Nj |
|---|---|
| InChI | InChI=1S/C13H13FO4/c1-2-8-17-12(15)6-7-13(16)18-11-5-3-4-10(14)9-11/h3-7,9H,2,8H2,1H3/b7-6+ |
| InChIKey | HEOACKJZLMNWFR-VOTSOKGWSA-N |
| Mol Weight | 252.24 g/mol |
| Molecular Formula | C13H13FO4 |
| Exact Mass | 252.079787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rmZOiucbok |
|---|---|
| Name | Fumaric acid, 3-fluorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.079787058 u |
| Formula | C13H13FO4 |
| InChI | InChI=1S/C13H13FO4/c1-2-8-17-12(15)6-7-13(16)18-11-5-3-4-10(14)9-11/h3-7,9H,2,8H2,1H3/b7-6+ |
| InChIKey | HEOACKJZLMNWFR-VOTSOKGWSA-N |
| Molecular Weight | 252.241 g/mol |
| SMILES | C(\C=C\C(OC=1C=CC=C(C1)F)=O)(OCCC)=O |