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[1-(11-ACETOXY-5-METHYL-4,7,12-TRIOXO-7,12-DIHYDRO-4H-NAPHTHO-[2,3-H]-CHROMEN-2-YL)-ETHYL]-TRIPHENYLPHOSPHONIUM-BROMIDE
SpectraBase Compound ID 7eIiHYYxZf6
InChI InChI=1S/C40H30O6P.BrH/c1-24-22-31-37(39(44)36-30(38(31)43)20-13-21-33(36)45-26(3)41)40-35(24)32(42)23-34(46-40)25(2)47(27-14-7-4-8-15-27,28-16-9-5-10-17-28)29-18-11-6-12-19-29;/h4-23,25H,1-3H3;1H/q+1;/p-1
InChIKey NZRNHKCHPNONRV-UHFFFAOYSA-M
Mol Weight 717.6 g/mol
Molecular Formula C40H30BrO6P
Exact Mass 716.096339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13HV2kWUKd6
Name [1-(11-ACETOXY-5-METHYL-4,7,12-TRIOXO-7,12-DIHYDRO-4H-NAPHTHO-[2,3-H]-CHROMEN-2-YL)-ETHYL]-TRIPHENYLPHOSPHONIUM-BROMIDE
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H30BrO6P
InChI InChI=1S/C40H30O6P.BrH/c1-24-22-31-37(39(44)36-30(38(31)43)20-13-21-33(36)45-26(3)41)40-35(24)32(42)23-34(46-40)25(2)47(27-14-7-4-8-15-27,28-16-9-5-10-17-28)29-18-11-6-12-19-29;/h4-23,25H,1-3H3;1H/q+1;/p-1
InChIKey NZRNHKCHPNONRV-UHFFFAOYSA-M
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 717.552 g/mol
Solvent CDCl3
Source File Reference UWBT20905