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(1''R)-4-OXO-4-[2,3,4-TRIMETHOXY-6-[1-(PROP-2-YNYLOXY)-ETHYL]-PHENYL]-BUTANOIC-ACID
SpectraBase Compound ID BRioTXH1SmW
InChI InChI=1S/C18H22O7/c1-6-9-25-11(2)12-10-14(22-3)17(23-4)18(24-5)16(12)13(19)7-8-15(20)21/h1,10-11H,7-9H2,2-5H3,(H,20,21)/t11-/m1/s1
InChIKey SBADLLFQIMJCOQ-LLVKDONJSA-N
Mol Weight 350.37 g/mol
Molecular Formula C18H22O7
Exact Mass 350.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PW6BF3yqhK
Name (1''R)-4-OXO-4-[2,3,4-TRIMETHOXY-6-[1-(PROP-2-YNYLOXY)-ETHYL]-PHENYL]-BUTANOIC-ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O7
InChI InChI=1S/C18H22O7/c1-6-9-25-11(2)12-10-14(22-3)17(23-4)18(24-5)16(12)13(19)7-8-15(20)21/h1,10-11H,7-9H2,2-5H3,(H,20,21)/t11-/m1/s1
InChIKey SBADLLFQIMJCOQ-LLVKDONJSA-N
Literature Reference Author A.O.TERMATH,S.RITTER,M.KOENIG,D.P.KRANZ,J.M.NEUDOURFL,A.PROK OP,H.G.SCHMALZ
Literature Reference Citation EUR.J.ORG.CHEM.,2012,4501(2012)
Literature Reference DOI 10.1002/ejoc.201200677
Molecular Weight 350.368 g/mol
Solvent CDCl3
Source File Reference UWLU84455