| SpectraBase Compound ID | 5LQCAOO0V4U |
|---|---|
| InChI | InChI=1S/C15H10ClNO5/c1-22-15(19)11-5-3-2-4-10(11)14(18)9-6-7-12(16)13(8-9)17(20)21/h2-8H,1H3 |
| InChIKey | YHDJIHYJPQZDFP-UHFFFAOYSA-N |
| Mol Weight | 319.7 g/mol |
| Molecular Formula | C15H10ClNO5 |
| Exact Mass | 319.02475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLNIDHcKsFK |
|---|---|
| Name | Methyl 2-(4-chloro-3-nitrobenzoyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.024750121 u |
| Formula | C15H10ClNO5 |
| InChI | InChI=1S/C15H10ClNO5/c1-22-15(19)11-5-3-2-4-10(11)14(18)9-6-7-12(16)13(8-9)17(20)21/h2-8H,1H3 |
| InChIKey | YHDJIHYJPQZDFP-UHFFFAOYSA-N |
| Molecular Weight | 319.700 g/mol |
| SMILES | C1(C(=O)C=2C(=CC=CC2)C(OC)=O)=CC(=C(C=C1)Cl)N(=O)=O |