| SpectraBase Compound ID | HcGF0AkHZ1m |
|---|---|
| InChI | InChI=1S/C13H8ClNO4/c14-11-7-6-9(8-12(11)15(17)18)13(16)19-10-4-2-1-3-5-10/h1-8H |
| InChIKey | DYQFVXHQRMKQBU-UHFFFAOYSA-N |
| Mol Weight | 277.66 g/mol |
| Molecular Formula | C13H8ClNO4 |
| Exact Mass | 277.014185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tdtIafhn2n |
|---|---|
| Name | Benzoic acid, 4-chloro-3-nitro-, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.014185438 u |
| Formula | C13H8ClNO4 |
| InChI | InChI=1S/C13H8ClNO4/c14-11-7-6-9(8-12(11)15(17)18)13(16)19-10-4-2-1-3-5-10/h1-8H |
| InChIKey | DYQFVXHQRMKQBU-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=C(C=C1N(=O)=O)C(=O)OC1=CC=CC=C1 |