| SpectraBase Compound ID | IjXVlcVGYQC |
|---|---|
| InChI | InChI=1S/C12H9F2NO3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2H2,1H3,(H,17,18) |
| InChIKey | MHFJYVWFBPABTI-UHFFFAOYSA-N |
| Mol Weight | 253.2 g/mol |
| Molecular Formula | C12H9F2NO3 |
| Exact Mass | 253.055049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5S10C8uzRX |
|---|---|
| Name | 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.055049477 u |
| Formula | C12H9F2NO3 |
| InChI | InChI=1S/C12H9F2NO3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2H2,1H3,(H,17,18) |
| InChIKey | MHFJYVWFBPABTI-UHFFFAOYSA-N |
| Molecular Weight | 253.205 g/mol |
| SMILES | C1(F)=CC2=C(C=C1F)C(=O)C(=CN2CC)C(=O)O |