| SpectraBase Compound ID | KQow2eJtI3D |
|---|---|
| InChI | InChI=1S/C12H12FNO3/c1-14(2)11(15)7-8-12(16)17-10-6-4-3-5-9(10)13/h3-8H,1-2H3/b8-7+ |
| InChIKey | STDKFTNIWCWYIR-BQYQJAHWSA-N |
| Mol Weight | 237.23 g/mol |
| Molecular Formula | C12H12FNO3 |
| Exact Mass | 237.080121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4l8OL8S89O |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dimethyl-, 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.080121410 u |
| Formula | C12H12FNO3 |
| InChI | InChI=1S/C12H12FNO3/c1-14(2)11(15)7-8-12(16)17-10-6-4-3-5-9(10)13/h3-8H,1-2H3/b8-7+ |
| InChIKey | STDKFTNIWCWYIR-BQYQJAHWSA-N |
| Molecular Weight | 237.230 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)F)=O)(=O)N(C)C |