SpectraBase Compound ID | CTaKwaxC8dZ |
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InChI | InChI=1S/C14H11Cl2NO/c1-9-3-2-4-10(7-9)14(18)17-11-5-6-12(15)13(16)8-11/h2-8H,1H3,(H,17,18) |
InChIKey | UTSFDDXXONJZBV-UHFFFAOYSA-N |
Mol Weight | 280.15 g/mol |
Molecular Formula | C14H11Cl2NO |
Exact Mass | 279.021769 g/mol |
SpectraBase Spectrum ID | DKSA2maXhpm |
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Name | N-(3,4-Dichlorophenyl)-3-methylbenzamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 279.021769377 u |
Formula | C14H11Cl2NO |
InChI | InChI=1S/C14H11Cl2NO/c1-9-3-2-4-10(7-9)14(18)17-11-5-6-12(15)13(16)8-11/h2-8H,1H3,(H,17,18) |
InChIKey | UTSFDDXXONJZBV-UHFFFAOYSA-N |
SMILES | C1(Cl)=C(C=CC(=C1)NC(=O)C1=CC(=CC=C1)C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895297 |