2-[2,2-bis(4-Fluorophenyl)-2-hydroxy-ethyl]-3,5,6-trichloro-1,4-benzoquinone

SpectraBase Compound ID	6Xglixp3r6k
InChI	InChI=1S/C20H11Cl3F2O3/c21-15-14(18(26)16(22)17(23)19(15)27)9-20(28,10-1-5-12(24)6-2-10)11-3-7-13(25)8-4-11/h1-8,28H,9H2
InChIKey	VCZBGHLRIHPDBX-UHFFFAOYSA-N Google Search
Mol Weight	443.66 g/mol
Molecular Formula	C20H11Cl3F2O3
Exact Mass	441.974184 g/mol

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SpectraBase Spectrum ID	HMM1RAKSJ75
Name	2-[2,2-bis(4-Fluorophenyl)-2-hydroxy-ethyl]-3,5,6-trichloro-1,4-benzoquinone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	441.974183637 u
Formula	C20H11Cl3F2O3
InChI	InChI=1S/C20H11Cl3F2O3/c21-15-14(18(26)16(22)17(23)19(15)27)9-20(28,10-1-5-12(24)6-2-10)11-3-7-13(25)8-4-11/h1-8,28H,9H2
InChIKey	VCZBGHLRIHPDBX-UHFFFAOYSA-N
Molecular Weight	443.661 g/mol
SMILES	C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)CC(C=1C=CC(=CC1)F)(C=1C=CC(=CC1)F)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.895221