| SpectraBase Compound ID | 4PqCXL12C5R |
|---|---|
| InChI | InChI=1S/C11H11Cl2NO3/c1-11(12,13)10(16)14-8-6-4-3-5-7(8)9(15)17-2/h3-6H,1-2H3,(H,14,16) |
| InChIKey | FNOCPRGIBPPNTF-UHFFFAOYSA-N |
| Mol Weight | 276.12 g/mol |
| Molecular Formula | C11H11Cl2NO3 |
| Exact Mass | 275.011599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kLDXbeWLmL |
|---|---|
| Name | 2-(2,2-Dichloropropanoylamino)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.011598615 u |
| Formula | C11H11Cl2NO3 |
| InChI | InChI=1S/C11H11Cl2NO3/c1-11(12,13)10(16)14-8-6-4-3-5-7(8)9(15)17-2/h3-6H,1-2H3,(H,14,16) |
| InChIKey | FNOCPRGIBPPNTF-UHFFFAOYSA-N |
| Molecular Weight | 276.119 g/mol |
| SMILES | C(NC=1C(C(=O)OC)=CC=CC1)(C(Cl)(Cl)C)=O |