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1,4-Naphthalenedione, 6,7-dichloro-2,3-dimethyl-

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

1,4-Naphthalenedione, 6,7-dichloro-2,3-dimethyl-
SpectraBase Compound ID JaOYKQvq162
InChI InChI=1S/C12H8Cl2O2/c1-5-6(2)12(16)8-4-10(14)9(13)3-7(8)11(5)15/h3-4H,1-2H3
InChIKey PPTCECGENPDYFP-UHFFFAOYSA-N
Mol Weight 255.1 g/mol
Molecular Formula C12H8Cl2O2
Exact Mass 253.990135 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8l7PjjO6wqn
Name 1,4-Naphthalenedione, 6,7-dichloro-2,3-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.990134896 u
Formula C12H8Cl2O2
InChI InChI=1S/C12H8Cl2O2/c1-5-6(2)12(16)8-4-10(14)9(13)3-7(8)11(5)15/h3-4H,1-2H3
InChIKey PPTCECGENPDYFP-UHFFFAOYSA-N
Molecular Weight 255.100 g/mol
SMILES C12=C(C(=O)C(=C(C2=O)C)C)C=C(C(=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947998