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5-HYDROXY-3-[4-(2-METHYL-1,3-DIOXOLAN-1-YL)-3-OXOBUTYL]-2-(2-OXOPROPYL)-[1.4]-NAPHTHOQUINONE
SpectraBase Compound ID 55sCJRPdVww
InChI InChI=1S/C21H22O7/c1-12(22)10-16-14(7-6-13(23)11-21(2)27-8-9-28-21)20(26)18-15(19(16)25)4-3-5-17(18)24/h3-5,24H,6-11H2,1-2H3
InChIKey OHYFRSROIZZNAJ-UHFFFAOYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4h4KyGoHoM
Name 2-Acetonyl-5-hydroxy-3-[3-keto-4-(2-methyl-1,3-dioxolan-2-yl)butyl]-1,4-naphthoquinone
Alternate Name(s) 2-Acetonyl-5-hydroxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-butyl]naphthalene-1,4-dione 3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxidanylidene-butyl]-5-oxidanyl-2-(2-oxidanylidenepropyl)naphthalene-1,4-dione 5-Hydroxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-2-(2-oxopropyl)naphthalene-1,4-dione
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Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-12(22)10-16-14(7-6-13(23)11-21(2)27-8-9-28-21)20(26)18-15(19(16)25)4-3-5-17(18)24/h3-5,24H,6-11H2,1-2H3
InChIKey OHYFRSROIZZNAJ-UHFFFAOYSA-N
Molecular Weight 386.400 g/mol
SMILES Oc1c2c(C(C(=C(C2=O)CCC(CC2(OCCO2)C)=O)CC(=O)C)=O)ccc1
SPLASH splash10-000i-9020000000-0877d9123b20ebd785cc
Source of Spectrum J-62-2355-12
Wiley ID 1362618