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2-[(3-BROMO-8-HYDROXY-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)-METHYL]-4-(2-METHYL-1,3-DIOXOLAN-2-YL)-3-OXOBUTANOIC_ACID_METHYLESTER

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2-[(3-BROMO-8-HYDROXY-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)-METHYL]-4-(2-METHYL-1,3-DIOXOLAN-2-YL)-3-OXOBUTANOIC_ACID_METHYLESTER
SpectraBase Compound ID 2Wk9UwvWK5g
InChI InChI=1S/C20H19BrO8/c1-20(28-6-7-29-20)9-14(23)11(19(26)27-2)8-12-16(21)18(25)10-4-3-5-13(22)15(10)17(12)24/h3-5,11,22H,6-9H2,1-2H3
InChIKey HVDQVPFAFZQYAM-UHFFFAOYSA-N
Mol Weight 467.27 g/mol
Molecular Formula C20H19BrO8
Exact Mass 466.026331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bB3VEe0v4j
Name 2-[(3-bromo-8-hydroxy-1,4-diketo-2-naphthyl)methyl]-3-keto-4-(2-methyl-1,3-dioxolan-2-yl)butyric acid methyl ester
Alternate Name(s) 2-[(3-bromo-8-hydroxy-1,4-dioxo-2-naphthalenyl)methyl]-4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutanoic acid methyl ester Methyl 2-[(3-bromo-8-hydroxy-1,4-dioxo-2-naphthyl)methyl]-4-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-butanoate Methyl 2-[(3-bromo-8-hydroxy-1,4-dioxonaphthalen-2-yl)methyl]-4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutanoate Methyl 2-[[3-bromanyl-8-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]methyl]-4-(2-methyl-1,3-dioxolan-2-yl)-3-oxidanylidene-butanoate
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Formula C20H19BrO8
InChI InChI=1S/C20H19BrO8/c1-20(28-6-7-29-20)9-14(23)11(19(26)27-2)8-12-16(21)18(25)10-4-3-5-13(22)15(10)17(12)24/h3-5,11,22H,6-9H2,1-2H3
InChIKey HVDQVPFAFZQYAM-UHFFFAOYSA-N
Molecular Weight 467.268 g/mol
SMILES Oc1c2C(C(=C(C(c2ccc1)=O)Br)CC(C(CC1(OCCO1)C)=O)C(=O)OC)=O
SPLASH splash10-000i-9100000000-aa90b56eccbc2e0d7e9e
Source of Spectrum J-62-2354-5
Wiley ID 1391861