| SpectraBase Compound ID | 70qgsrB35Zs |
|---|---|
| InChI | InChI=1S/C13H14FNO3/c1-9(2)18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)/b8-7+ |
| InChIKey | OFWWGYQJWWNCEP-BQYQJAHWSA-N |
| Mol Weight | 251.26 g/mol |
| Molecular Formula | C13H14FNO3 |
| Exact Mass | 251.095771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nKHx6k0usX |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-fluorophenyl)-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.095771475 u |
| Formula | C13H14FNO3 |
| InChI | InChI=1S/C13H14FNO3/c1-9(2)18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)/b8-7+ |
| InChIKey | OFWWGYQJWWNCEP-BQYQJAHWSA-N |
| Molecular Weight | 251.257 g/mol |
| SMILES | CC(OC(=O)\C=C\C(=O)NC1=CC=CC=C1F)C |