| SpectraBase Compound ID | 3EgUMTKT0DW |
|---|---|
| InChI | InChI=1S/C9H7ClFNO3/c10-5-2-1-3-6(11)8(5)9(15)12-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14) |
| InChIKey | ZFEUSPILIYJEFJ-UHFFFAOYSA-N |
| Mol Weight | 231.61 g/mol |
| Molecular Formula | C9H7ClFNO3 |
| Exact Mass | 231.009849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHCi7cfMYWm |
|---|---|
| Name | N-(2-Chloro-6-fluorobenzoyl)glycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.009848949 u |
| Formula | C9H7ClFNO3 |
| InChI | InChI=1S/C9H7ClFNO3/c10-5-2-1-3-6(11)8(5)9(15)12-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14) |
| InChIKey | ZFEUSPILIYJEFJ-UHFFFAOYSA-N |
| Molecular Weight | 231.610 g/mol |
| SMILES | N(C(C1=C(C=CC=C1F)Cl)=O)CC(O)=O |