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1,4-bis[3,4-Dichlorophenyl]-2,3-butanedione

View entire compound with spectra: 1 FTIR

1,4-bis[3,4-Dichlorophenyl]-2,3-butanedione
SpectraBase Compound ID 3RIq2Yh8bFk
InChI InChI=1S/C16H10Cl4O2/c17-11-3-1-9(5-13(11)19)7-15(21)16(22)8-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2
InChIKey YHMBOMKUFCSTAF-UHFFFAOYSA-N
Mol Weight 376.1 g/mol
Molecular Formula C16H10Cl4O2
Exact Mass 373.94349 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H4GHxIMYutv
Name 1,4-bis[3,4-Dichlorophenyl]-2,3-butanedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.943490360 u
Formula C16H10Cl4O2
InChI InChI=1S/C16H10Cl4O2/c17-11-3-1-9(5-13(11)19)7-15(21)16(22)8-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2
InChIKey YHMBOMKUFCSTAF-UHFFFAOYSA-N
Molecular Weight 376.066 g/mol
SMILES C1=C(CC(=O)C(CC2=CC=C(Cl)C(=C2)Cl)=O)C=CC(=C1Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898345