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2-(1-BROMOETHYL)-5-METHYL-4,7,12-TRIOXO-7,12-DIHYDRO-4H-NAPHTHO-[2,3-H]-CHROMEN-11-YL-PENTANOATE
SpectraBase Compound ID 5oM90UBY4bB
InChI InChI=1S/C25H21BrO6/c1-4-5-9-19(28)31-17-8-6-7-14-21(17)24(30)22-15(23(14)29)10-12(2)20-16(27)11-18(13(3)26)32-25(20)22/h6-8,10-11,13H,4-5,9H2,1-3H3
InChIKey INPGDKLNBKNAJQ-UHFFFAOYSA-N
Mol Weight 497.34 g/mol
Molecular Formula C25H21BrO6
Exact Mass 496.052151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fKQo9Mni15
Name 2-(1-BROMOETHYL)-5-METHYL-4,7,12-TRIOXO-7,12-DIHYDRO-4H-NAPHTHO-[2,3-H]-CHROMEN-11-YL-PENTANOATE
Compound Number 13C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H21BrO6
InChI InChI=1S/C25H21BrO6/c1-4-5-9-19(28)31-17-8-6-7-14-21(17)24(30)22-15(23(14)29)10-12(2)20-16(27)11-18(13(3)26)32-25(20)22/h6-8,10-11,13H,4-5,9H2,1-3H3
InChIKey INPGDKLNBKNAJQ-UHFFFAOYSA-N
Literature Reference Author K.KROHN,H.T.TRAN-THIEN,I.AHMED
Literature Reference Citation EUR.J.ORG.CHEM.,2011,2223(2011)
Literature Reference DOI 10.1002/ejoc.201100093
Molecular Weight 497.342 g/mol
Solvent CDCl3
Source File Reference UWBT20902