SpectraBase Compound ID | 70WjtyVq0PK |
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InChI | InChI=1S/C14H11Cl2NO/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h2-8H,1H3,(H,17,18) |
InChIKey | BAARZDNNIUDJSO-UHFFFAOYSA-N |
Mol Weight | 280.15 g/mol |
Molecular Formula | C14H11Cl2NO |
Exact Mass | 279.021769 g/mol |
SpectraBase Spectrum ID | IrejTqH7K6S |
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Name | 2,4-Dichloro-N-(3-methylphenyl)benzamide |
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/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h2-8H,1H3,(H,17,18) |
InChIKey | BAARZDNNIUDJSO-UHFFFAOYSA-N |
SMILES | C1(Cl)=C(C=CC(=C1)Cl)C(=O)NC1=CC(=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95454 |