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BERKEDIENOIC_ACID
SpectraBase Compound ID DHs03hwfI6l
InChI InChI=1S/C11H16O3/c1-3-5-7-10(12)8-9(6-4-2)11(13)14/h3,5-7,10,12H,1,4,8H2,2H3,(H,13,14)/b7-5+,9-6+
InChIKey SSSYMZDZKBTBDM-PDTNFJSOSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BErBukUdL9k
Name BERKEDIENOIC_ACID
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-3-5-7-10(12)8-9(6-4-2)11(13)14/h3,5-7,10,12H,1,4,8H2,2H3,(H,13,14)/b7-5+,9-6+
InChIKey SSSYMZDZKBTBDM-PDTNFJSOSA-N
Literature Reference Author A.A.STIERLE,D.B.STIERLE,T.GIRTSMAN
Literature Reference Citation J.NAT.PROD.,75,344(2012)
Literature Reference DOI 10.1021/np200414c
Molecular Weight 196.246 g/mol
Sample ID 40103
Solvent CDCl3