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METHYL-3-(1,6,8-TRIMETHOXY-9,10-ANTHRAQUINON-3-YL)-BUTYRATE
SpectraBase Compound ID Gu8E6ynLUyO
InChI InChI=1S/C22H22O7/c1-26-13-10-15-20(17(11-13)28-3)22(25)19-14(21(15)24)8-12(9-16(19)27-2)6-5-7-18(23)29-4/h8-11H,5-7H2,1-4H3
InChIKey GXOFRTMXINGKQT-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3W436pBmYfu
Name METHYL-3-(1,6,8-TRIMETHOXY-9,10-ANTHRAQUINON-3-YL)-BUTYRATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-26-13-10-15-20(17(11-13)28-3)22(25)19-14(21(15)24)8-12(9-16(19)27-2)6-5-7-18(23)29-4/h8-11H,5-7H2,1-4H3
InChIKey GXOFRTMXINGKQT-UHFFFAOYSA-N
Literature Reference Author M.WASER,H.FALK
Literature Reference Citation MH.CHEM.,136,609(2005)
Literature Reference DOI 10.1007/s00706-004-0263-x
Molecular Weight 398.412 g/mol
Solvent CDCl3
Source File Reference UWSI23564