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3-Bromo-2-[3',5'-di(t-butyl)-4'-hydroxyphenyl]-5-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID J0v8xi8gBMv
InChI InChI=1S/C24H25BrO4/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 BYDXHLNHOVNJFC-UHFFFAOYSA-N
Mol Weight 457.36 g/mol
Molecular Formula C24H25BrO4
Exact Mass 456.093622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5BZrziwOih
Name 3-Bromo-2-[3',5'-di(t-butyl)-4'-hydroxyphenyl]-5-hydroxy-1,4-naphthoquinone
Alternate Name(s) 3-Bromo-2-(3,5-ditert-butyl-4-hydroxyphenyl)-5-hydroxynaphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25BrO4
InChI InChI=1S/C24H25BrO4/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 BYDXHLNHOVNJFC-UHFFFAOYSA-N
Molecular Weight 457.364 g/mol
SMILES Oc1cccc2c1C(C(=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C2=O)Br)=O
SPLASH splash10-052f-2000900000-e93622a6e71a82e11254
Source of Spectrum D8-325-368-3
Wiley ID 1514463