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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOk2i2A1niA
Name 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
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author K.KROHN,N.BOEKER,U.FLOERKE,C.FREUND
Literature Reference Citation J.ORG.CHEM.,62,2350(1997)
Literature Reference DOI 10.1021/jo9622587
Molecular Weight 467.270 g/mol
Solvent CDCl3
Source File Reference UWMZ4287