| SpectraBase Compound ID | AK8DZGIWjJ0 |
|---|---|
| InChI | InChI=1S/C13H8ClNO4/c14-10-3-1-2-9(8-10)13(16)19-12-6-4-11(5-7-12)15(17)18/h1-8H |
| InChIKey | ZDRYPPICSNKLEV-UHFFFAOYSA-N |
| Mol Weight | 277.66 g/mol |
| Molecular Formula | C13H8ClNO4 |
| Exact Mass | 277.014185 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | nhvN8qu4FR |
|---|---|
| Name | 3-Chlorobenzoic acid, 4-nitrophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.014185438 u |
| Formula | C13H8ClNO4 |
| InChI | InChI=1S/C13H8ClNO4/c14-10-3-1-2-9(8-10)13(16)19-12-6-4-11(5-7-12)15(17)18/h1-8H |
| InChIKey | ZDRYPPICSNKLEV-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1Cl)C(=O)OC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883288 |