| SpectraBase Compound ID | KmMDJnOK2zv |
|---|---|
| InChI | InChI=1S/C11H11F2NO3/c1-6(4-10(15)16)11(17)14-9-3-2-7(12)5-8(9)13/h2-3,5-6H,4H2,1H3,(H,14,17)(H,15,16) |
| InChIKey | PSTQIGWRLKTUKG-UHFFFAOYSA-N |
| Mol Weight | 243.21 g/mol |
| Molecular Formula | C11H11F2NO3 |
| Exact Mass | 243.0707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4oMjXe6GIg |
|---|---|
| Name | 2',4'-Difluoro-3-methylsuccinanilic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.070699541 u |
| Formula | C11H11F2NO3 |
| InChI | InChI=1S/C11H11F2NO3/c1-6(4-10(15)16)11(17)14-9-3-2-7(12)5-8(9)13/h2-3,5-6H,4H2,1H3,(H,14,17)(H,15,16) |
| InChIKey | PSTQIGWRLKTUKG-UHFFFAOYSA-N |
| Molecular Weight | 243.210 g/mol |
| SMILES | N(C1=CC=C(C=C1F)F)C(C(CC(O)=O)C)=O |