3-Chloro-2-[3',5'-di(t-butyl)-4'-hydroxyphenyl]-5-hydroxy-1,4-naphthoquinone

SpectraBase Compound ID	JVOsWUWjqA
InChI	InChI=1S/C24H25ClO4/c1-23(2,3)14-10-12(11-15(21(14)28)24(4,5)6)17-19(25)22(29)18-13(20(17)27)8-7-9-16(18)26/h7-11,26,28H,1-6H3
InChIKey	IZUDHQHFHAQBFN-UHFFFAOYSA-N Google Search
Mol Weight	412.91 g/mol
Molecular Formula	C24H25ClO4
Exact Mass	412.144137 g/mol

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SpectraBase Spectrum ID	J9SJfXCDi9T
Name	3-Chloro-2-[3',5'-di(T-butyl)-4'-hydroxyphenyl]-5-hydroxy-1,4-naphthoquinone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	412.144136981 u
Formula	C24H25ClO4
InChI	InChI=1S/C24H25ClO4/c1-23(2,3)14-10-12(11-15(21(14)28)24(4,5)6)17-19(25)22(29)18-13(20(17)27)8-7-9-16(18)26/h7-11,26,28H,1-6H3
InChIKey	IZUDHQHFHAQBFN-UHFFFAOYSA-N
Molecular Weight	412.913 g/mol
SMILES	C1(=C(C(=O)C2=C(C1=O)C=CC=C2O)Cl)C=1C=C(C(C)(C)C)C(=C(C1)C(C)(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.907848