| SpectraBase Compound ID | LN4Ks4DJT6n |
|---|---|
| InChI | InChI=1S/C13H9ClN2O3/c14-10-3-5-11(6-4-10)15-13(17)9-1-7-12(8-2-9)16(18)19/h1-8H,(H,15,17) |
| InChIKey | WAKIEGNWFGFZLM-UHFFFAOYSA-N |
| Mol Weight | 276.68 g/mol |
| Molecular Formula | C13H9ClN2O3 |
| Exact Mass | 276.03017 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IRsqTExhDnL |
|---|---|
| Name | N-(4-Chlorophenyl)-4-nitrobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.030169855 u |
| Formula | C13H9ClN2O3 |
| InChI | InChI=1S/C13H9ClN2O3/c14-10-3-5-11(6-4-10)15-13(17)9-1-7-12(8-2-9)16(18)19/h1-8H,(H,15,17) |
| InChIKey | WAKIEGNWFGFZLM-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C(C=C1)Cl)(=O)C1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806965 |