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PARELLIN
SpectraBase Compound ID IhH19dCbZRD
InChI InChI=1S/C18H15ClO6/c1-7-5-11(21)10(6-20)17-12(7)18(22)25-16-9(3)14(23-4)13(19)8(2)15(16)24-17/h5-6,21H,1-4H3
InChIKey FZBRFXCENCOJRK-UHFFFAOYSA-N
Mol Weight 362.77 g/mol
Molecular Formula C18H15ClO6
Exact Mass 362.055716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DXZPgn5mVz
Name PARELLIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15ClO6
InChI InChI=1S/C18H15ClO6/c1-7-5-11(21)10(6-20)17-12(7)18(22)25-16-9(3)14(23-4)13(19)8(2)15(16)24-17/h5-6,21H,1-4H3
InChIKey FZBRFXCENCOJRK-UHFFFAOYSA-N
Literature Reference Author M.MILLOT,S.TOMASI,K.ARTICUS,I.ROUAUD,A.BERNARD,J.BOUSTIE
Literature Reference Citation J.NAT.PROD.,70,316(2007)
Literature Reference DOI 10.1021/np060561p
Molecular Weight 362.767 g/mol
Sample ID 29706
Solvent DMSO-D6