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7-(2,4-Dichlorobenzylideneamino)-4-methyl-2H-chromen-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

7-(2,4-Dichlorobenzylideneamino)-4-methyl-2H-chromen-2-one
SpectraBase Compound ID 1ZmrelyD9n7
InChI InChI=1S/C17H11Cl2NO2/c1-10-6-17(21)22-16-8-13(4-5-14(10)16)20-9-11-2-3-12(18)7-15(11)19/h2-9H,1H3/b20-9+
InChIKey KTPIAFFMARRHNF-AWQFTUOYSA-N
Mol Weight 332.19 g/mol
Molecular Formula C17H11Cl2NO2
Exact Mass 331.016684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A2KE4M1bnci
Name 7-(2,4-Dichlorobenzylideneamino)-4-methyl-2H-chromen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.016683996 u
Formula C17H11Cl2NO2
InChI InChI=1S/C17H11Cl2NO2/c1-10-6-17(21)22-16-8-13(4-5-14(10)16)20-9-11-2-3-12(18)7-15(11)19/h2-9H,1H3/b20-9+
InChIKey KTPIAFFMARRHNF-AWQFTUOYSA-N
Molecular Weight 332.186 g/mol
SMILES C1(C=C(C=2C=CC(=CC2O1)\N=C\C=1C(=CC(=CC1)Cl)Cl)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898476