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2-Chloranyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)naphthalene-1,4-dione
SpectraBase Compound ID HBetkoD5aAa
InChI InChI=1S/C24H25ClO3/c1-23(2,3)16-11-13(12-17(22(16)28)24(4,5)6)18-19(25)21(27)15-10-8-7-9-14(15)20(18)26/h7-12,28H,1-6H3
InChIKey PTHSANSKCAYXDD-UHFFFAOYSA-N
Mol Weight 396.91 g/mol
Molecular Formula C24H25ClO3
Exact Mass 396.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FT99Q1wilY2
Name 2-Chloranyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)naphthalene-1,4-dione
Alternate Name(s) 2-Chloro-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4-naphthoquinone 2-Chloro-3-(3,5-ditert-butyl-4-hydroxy-phenyl)naphthalene-1,4-dione
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Formula C24H25ClO3
InChI InChI=1S/C24H25ClO3/c1-23(2,3)16-11-13(12-17(22(16)28)24(4,5)6)18-19(25)21(27)15-10-8-7-9-14(15)20(18)26/h7-12,28H,1-6H3
InChIKey PTHSANSKCAYXDD-UHFFFAOYSA-N
Molecular Weight 396.914 g/mol
SMILES Oc1c(cc(C2=C(C(=O)c3c(C2=O)cccc3)Cl)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-001j-0009000000-5d9ebf2cfb2e707d3391
Source of Spectrum D8-324-494-9
Wiley ID 1514167