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PESTALAFURANONE-I
SpectraBase Compound ID I0OHV6QwFdW
InChI InChI=1S/C11H16O4/c1-3-5-7-8(6-15-11(7)14)10(13)9(12)4-2/h3,5,9-10,12-13H,4,6H2,1-2H3/b5-3+
InChIKey OSXQNTNIPHVDFK-HWKANZROSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ib3FajxGNuS
Name PESTALAFURANONE-I
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-3-5-7-8(6-15-11(7)14)10(13)9(12)4-2/h3,5,9-10,12-13H,4,6H2,1-2H3/b5-3+
InChIKey OSXQNTNIPHVDFK-HWKANZROSA-N
Literature Reference Author H.ZHANG,Z.DENG,Z.GUO,X.TU,J.WANG,K.ZOU
Literature Reference Citation MOLECULES,19,819(2014)
Literature Reference DOI 10.3390/molecules19010819
Molecular Weight 212.246 g/mol
Solvent CDCl3
Source File Reference UWBT14227