| SpectraBase Compound ID | 3Yr1pKVi6Sv |
|---|---|
| InChI | InChI=1S/C14H9Cl2NO3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20) |
| InChIKey | CQRNGLUAFREIDQ-UHFFFAOYSA-N |
| Mol Weight | 310.14 g/mol |
| Molecular Formula | C14H9Cl2NO3 |
| Exact Mass | 308.995949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fRhV2S6wMN |
|---|---|
| Name | Benzoic acid, 4-chloro-2-(4-chlorobenzoylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.995948551 u |
| Formula | C14H9Cl2NO3 |
| InChI | InChI=1S/C14H9Cl2NO3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20) |
| InChIKey | CQRNGLUAFREIDQ-UHFFFAOYSA-N |
| Molecular Weight | 310.136 g/mol |
| SMILES | C1(=C(NC(=O)C=2C=CC(=CC2)Cl)C=C(C=C1)Cl)C(=O)O |