1,4-Bis[(2,2,2-trichloroethoxycarbonyl)oxy]-9,10-anthraquinone

SpectraBase Compound ID	5a5fSwuL2Tg
InChI	InChI=1S/C20H10Cl6O8/c21-19(22,23)7-31-17(29)33-11-5-6-12(34-18(30)32-8-20(24,25)26)14-13(11)15(27)9-3-1-2-4-10(9)16(14)28/h1-6H,7-8H2
InChIKey	VATNHEUTEVEITD-UHFFFAOYSA-N Google Search
Mol Weight	591.0 g/mol
Molecular Formula	C20H10Cl6O8
Exact Mass	587.850683 g/mol

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SpectraBase Spectrum ID	30pH7vlpBz3
Name	1,4-bis[(2,2,2-Trichloroethoxycarbonyl)oxy]-9,10-anthraquinone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	587.850683474 u
Formula	C20H10Cl6O8
InChI	InChI=1S/C20H10Cl6O8/c21-19(22,23)7-31-17(29)33-11-5-6-12(34-18(30)32-8-20(24,25)26)14-13(11)15(27)9-3-1-2-4-10(9)16(14)28/h1-6H,7-8H2
InChIKey	VATNHEUTEVEITD-UHFFFAOYSA-N
Molecular Weight	591.010 g/mol
SMILES	C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(OC(=O)OCC(Cl)(Cl)Cl)C=CC1OC(=O)OCC(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR)	0.898712