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JBKFXOOPQHTINJ-UHFFFAOYSA-N
SpectraBase Compound ID 3x0ASQ9CJKI
InChI InChI=1S/C16H18O4/c1-10(2)5-6-12-11-7-8-15(17)20-13(11)9-14(18-3)16(12)19-4/h5,7-9H,6H2,1-4H3
InChIKey JBKFXOOPQHTINJ-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5xneKS1HCq
Name CEDRECOUMARIN-B;6,7-DIMETHOXY-5-PHENYLCOUMARIN;6,7-DIMETHOXY-5-(3-METHYL-2-BUTENYL)-2H-1-BENZOPYRAN-2-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-10(2)5-6-12-11-7-8-15(17)20-13(11)9-14(18-3)16(12)19-4/h5,7-9H,6H2,1-4H3
InChIKey JBKFXOOPQHTINJ-UHFFFAOYSA-N
Literature Reference Author D.A.MULHOLLAND,M.KOTSOS,H.A.MAHOMED,N.A.FOORBANALLY,M.RANDRI ANARIVELOJOSIA,L.QUA
Literature Reference Citation PHYTOCHEM.,61,919(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00440-5
Molecular Weight 274.317 g/mol
Solvent CD3OD
Source File Reference UWLU29485