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[1-[5-METHYL-4,7,12-TRIOXO-11-(PENTANOYLOXY)-7,12-DIHYDRO-4H-NAPHTHO-[2,3-H]-CHROMEN-2-YL]-ETHYL]-TRIPHENYLPHOSPHONIUM-BROMIDE

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[1-[5-METHYL-4,7,12-TRIOXO-11-(PENTANOYLOXY)-7,12-DIHYDRO-4H-NAPHTHO-[2,3-H]-CHROMEN-2-YL]-ETHYL]-TRIPHENYLPHOSPHONIUM-BROMIDE
SpectraBase Compound ID Lj7phGRkcHh
InChI InChI=1S/2C43H36O6P.2BrH/c2*1-4-5-24-37(45)48-35-23-15-22-32-39(35)42(47)40-33(41(32)46)25-27(2)38-34(44)26-36(49-43(38)40)28(3)50(29-16-9-6-10-17-29,30-18-11-7-12-19-30)31-20-13-8-14-21-31;;/h2*6-23,25-26,28H,4-5,24H2,1-3H3;2*1H/q2*+1;;/p-2
InChIKey CARHJBGZHDTGDR-UHFFFAOYSA-L
Mol Weight 1519.266 g/mol
Molecular Formula C86H72Br2O12P2
Exact Mass 1516.286578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EN7Wz9e4Iew
Name [1-[5-METHYL-4,7,12-TRIOXO-11-(PENTANOYLOXY)-7,12-DIHYDRO-4H-NAPHTHO-[2,3-H]-CHROMEN-2-YL]-ETHYL]-TRIPHENYLPHOSPHONIUM-BROMIDE
Compound Number 15C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H72Br2O12P2
InChI InChI=1S/2C43H36O6P.2BrH/c2*1-4-5-24-37(45)48-35-23-15-22-32-39(35)42(47)40-33(41(32)46)25-27(2)38-34(44)26-36(49-43(38)40)28(3)50(29-16-9-6-10-17-29,30-18-11-7-12-19-30)31-20-13-8-14-21-31;;/h2*6-23,25-26,28H,4-5,24H2,1-3H3;2*1H/q2*+1;;/p-2
InChIKey CARHJBGZHDTGDR-UHFFFAOYSA-L
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 1519.266 g/mol
Solvent CDCl3
Source File Reference UWBT20906