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3'-O-METHYLBRAZILIN
SpectraBase Compound ID IGaVdayz9oT
InChI InChI=1S/C17H16O5/c1-21-15-4-9-7-17(20)8-22-14-5-10(18)2-3-11(14)16(17)12(9)6-13(15)19/h2-6,16,18-20H,7-8H2,1H3/t16?,17-/m1/s1
InChIKey RDWWRPSMRUBPHK-ZYMOGRSISA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8fAHU2u6PI
Name 3'-O-METHYLBRAZILIN
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-21-15-4-9-7-17(20)8-22-14-5-10(18)2-3-11(14)16(17)12(9)6-13(15)19/h2-6,16,18-20H,7-8H2,1H3/t16?,17-/m1/s1
InChIKey RDWWRPSMRUBPHK-ZYMOGRSISA-N
Literature Reference Author L.C.FU,X.A.HUANG,Z.Y.LAI,Y.J,HU,H.J.LIU,X.L.CAI
Literature Reference Citation MOLECULES,13,1923(2008)
Literature Reference DOI 10.3390/molecules13081923
Molecular Weight 300.311 g/mol
Sample ID 56879
Solvent ACETONE-D6