| SpectraBase Compound ID | KpC2T0hf29h |
|---|---|
| InChI | InChI=1S/C12H16FNO4/c1-6-8(5-9(13)11(15)17-3)7(2)14-10(6)12(16)18-4/h9,14H,5H2,1-4H3 |
| InChIKey | KAPAYBHRKFKOPZ-UHFFFAOYSA-N |
| Mol Weight | 257.26 g/mol |
| Molecular Formula | C12H16FNO4 |
| Exact Mass | 257.106336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YkcQNMes1p |
|---|---|
| Name | 4-(2-Fluoro-3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.106336158 u |
| Formula | C12H16FNO4 |
| InChI | InChI=1S/C12H16FNO4/c1-6-8(5-9(13)11(15)17-3)7(2)14-10(6)12(16)18-4/h9,14H,5H2,1-4H3 |
| InChIKey | KAPAYBHRKFKOPZ-UHFFFAOYSA-N |
| Molecular Weight | 257.261 g/mol |
| SMILES | C=1(NC(C)=C(C1C)CC(C(=O)OC)F)C(=O)OC |