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BUELLIN
SpectraBase Compound ID 8zJkYJjrox6
InChI InChI=1S/C18H17Cl3O6/c1-7-11(18(23)26-5)9(6-10(24-3)12(7)19)27-16-8(2)13(20)17(25-4)14(21)15(16)22/h6,22H,1-5H3
InChIKey OYHGZQVOFWBBGE-UHFFFAOYSA-N
Mol Weight 435.69 g/mol
Molecular Formula C18H17Cl3O6
Exact Mass 434.009071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Jwftckhjs4
Name BUELLIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17Cl3O6
InChI InChI=1S/C18H17Cl3O6/c1-7-11(18(23)26-5)9(6-10(24-3)12(7)19)27-16-8(2)13(20)17(25-4)14(21)15(16)22/h6,22H,1-5H3
InChIKey OYHGZQVOFWBBGE-UHFFFAOYSA-N
Literature Reference Author M.MILLOT,S.TOMASI,E.STUDZINSKA,I.ROUAUD,J.BOUSTIE
Literature Reference Citation J.NAT.PROD.,72,2177(2009)
Literature Reference DOI 10.1021/np9003728
Molecular Weight 435.688 g/mol
Sample ID 34263
Solvent CDCl3