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JNGYZKAZTQSMMB-VJSCVCEBSA-N
SpectraBase Compound ID AH6hBSxNO3X
InChI InChI=1S/C9H10O3/c1-9-4-6(2-3-7(9)10)12-8(11)5-9/h2-3,6H,4-5H2,1H3/t6-,9?/m1/s1
InChIKey JNGYZKAZTQSMMB-VJSCVCEBSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0QCOtctxS2
Name JNGYZKAZTQSMMB-VJSCVCEBSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-9-4-6(2-3-7(9)10)12-8(11)5-9/h2-3,6H,4-5H2,1H3/t6-,9?/m1/s1
InChIKey JNGYZKAZTQSMMB-VJSCVCEBSA-N
Literature Reference Author F.A.MARQUES,C.A.LENZ,F.SIMONELLI,B.H.L.N.S.MAIA,A.P.VELLASCO ,M.N.EBERLIN
Literature Reference Citation J.NAT.PROD.,67,1939(2004)
Literature Reference DOI 10.1021/np049771x
Molecular Weight 166.177 g/mol
Solvent CDCl3
Source File Reference UWMZ6673