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5-METHYL-7-O-COUMAROYL-4-(4'-METHOXYPHENYL)-3,4-DIHYDROCOUMARIN
SpectraBase Compound ID 171bCnPJf9S
InChI InChI=1S/C27H24O6/c1-17-14-22(32-25(28)13-6-18-4-9-20(30-2)10-5-18)15-24-27(17)23(16-26(29)33-24)19-7-11-21(31-3)12-8-19/h4-15,23H,16H2,1-3H3/b13-6+
InChIKey AOMAKQZTICYEHN-AWNIVKPZSA-N
Mol Weight 444.48 g/mol
Molecular Formula C27H24O6
Exact Mass 444.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wwdsM8wlhA
Name 5-METHYL-7-O-COUMAROYL-4-(4'-METHOXYPHENYL)-3,4-DIHYDROCOUMARIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24O6
InChI InChI=1S/C27H24O6/c1-17-14-22(32-25(28)13-6-18-4-9-20(30-2)10-5-18)15-24-27(17)23(16-26(29)33-24)19-7-11-21(31-3)12-8-19/h4-15,23H,16H2,1-3H3/b13-6+
InChIKey AOMAKQZTICYEHN-AWNIVKPZSA-N
Literature Reference Author M.Z.B.BEZERRA,M.I.L.MACHADO,S.M.D.MORAIS,R.BRAZ-FILHO
Literature Reference Citation J.BRAZ.CHEM.SOC.,8,229(1997)
Literature Reference DOI 10.1590/s0103-50531997000300008
Molecular Weight 444.484 g/mol
Solvent CDCl3
Source File Reference UWPA1200