| SpectraBase Compound ID | 8p0wq72hmSP |
|---|---|
| InChI | InChI=1S/C17H14FNO3/c1-19(14-7-3-2-4-8-14)16(20)10-11-17(21)22-15-9-5-6-13(18)12-15/h2-12H,1H3/b11-10+ |
| InChIKey | SPPVKBQXSCUFGH-ZHACJKMWSA-N |
| Mol Weight | 299.3 g/mol |
| Molecular Formula | C17H14FNO3 |
| Exact Mass | 299.095771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MlbvGywJOB |
|---|---|
| Name | Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.095771475 u |
| Formula | C17H14FNO3 |
| InChI | InChI=1S/C17H14FNO3/c1-19(14-7-3-2-4-8-14)16(20)10-11-17(21)22-15-9-5-6-13(18)12-15/h2-12H,1H3/b11-10+ |
| InChIKey | SPPVKBQXSCUFGH-ZHACJKMWSA-N |
| Molecular Weight | 299.301 g/mol |
| SMILES | C1=C(C=CC=C1F)OC(=O)\C=C\C(N(C)C1=CC=CC=C1)=O |