| SpectraBase Compound ID | 4H4VgsimdOO |
|---|---|
| InChI | InChI=1S/C14H9ClN2O5/c15-10-6-5-8(7-12(10)17(21)22)13(18)16-11-4-2-1-3-9(11)14(19)20/h1-7H,(H,16,18)(H,19,20) |
| InChIKey | DIKOAJJMWYFWKA-UHFFFAOYSA-N |
| Mol Weight | 320.69 g/mol |
| Molecular Formula | C14H9ClN2O5 |
| Exact Mass | 320.019999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLiGGBNGMFC |
|---|---|
| Name | Benzoic acid, 2-(4-chloro-3-nitrobenzoylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.019999093 u |
| Formula | C14H9ClN2O5 |
| InChI | InChI=1S/C14H9ClN2O5/c15-10-6-5-8(7-12(10)17(21)22)13(18)16-11-4-2-1-3-9(11)14(19)20/h1-7H,(H,16,18)(H,19,20) |
| InChIKey | DIKOAJJMWYFWKA-UHFFFAOYSA-N |
| Molecular Weight | 320.688 g/mol |
| SMILES | C1=CC=C(C(=C1)NC(C=1C=C(N(=O)=O)C(=CC1)Cl)=O)C(=O)O |