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PESTALOTHEOL_D
SpectraBase Compound ID 12rUQGXNtEv
InChI InChI=1S/C16H20O4/c1-15(2)8-11(17)10-7-12-9(5-13(10)20-15)6-14(19-12)16(3,4)18/h5,7,14,18H,6,8H2,1-4H3
InChIKey CGEURPDLOCVPML-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60qiPj8i7Bi
Name PESTALOTHEOL_D
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-15(2)8-11(17)10-7-12-9(5-13(10)20-15)6-14(19-12)16(3,4)18/h5,7,14,18H,6,8H2,1-4H3
InChIKey CGEURPDLOCVPML-UHFFFAOYSA-N
Literature Reference Author E.LI,R.TIAN,S.LIU,X.CHEN,L.GUO,Y.CHE
Literature Reference Citation J.NAT.PROD.,71,664(2008)
Literature Reference DOI 10.1021/np700744t
Molecular Weight 276.332 g/mol
Sample ID 27678
Solvent ACETONE-D6