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JACARANONE
SpectraBase Compound ID DxyBbhv7BEH
InChI InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3
InChIKey WJZSKNRPRWCLLK-UHFFFAOYSA-N
Mol Weight 182.17 g/mol
Molecular Formula C9H10O4
Exact Mass 182.057909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AK7JshRzCxs
Name 2,5-CYCLOHEXADIENE-1-ACETIC-ACID-1-HYDROXY-4-OXOMETHYLESTER;JACARANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10O4
InChI InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3
InChIKey WJZSKNRPRWCLLK-UHFFFAOYSA-N
Literature Reference Author J.C.YVIN,L.CHEVOLOT,A.M.CHEVOLOT-MAGUEUR,J.C.COCHARD
Literature Reference Citation J.NAT.PROD.,48,814(1985)
Literature Reference DOI 10.1021/np50041a018
Molecular Weight 182.176 g/mol
Solvent CDCl3
Source File Reference UWCS3341