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2-CHLORO-5-METHOXY-3-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
SpectraBase Compound ID t66l6FnWar
InChI InChI=1S/C8H7ClO3/c1-4-7(9)5(10)3-6(12-2)8(4)11/h3H,1-2H3
InChIKey SXCLPOXHBILXEY-UHFFFAOYSA-N
Mol Weight 186.59 g/mol
Molecular Formula C8H7ClO3
Exact Mass 186.008372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlDEjmA9iR2
Name 2-CHLORO-5-METHOXY-3-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7ClO3
InChI InChI=1S/C8H7ClO3/c1-4-7(9)5(10)3-6(12-2)8(4)11/h3H,1-2H3
InChIKey SXCLPOXHBILXEY-UHFFFAOYSA-N
Literature Reference Author S.TANSUWAN,S.PORNPAKAKUL,S.ROENGSUMRAN,A.PETSOM,N.MUANGSIN,P .SIHANONTA,N.CHAICHI
Literature Reference Citation J.NAT.PROD.,70,1620(2007)
Literature Reference DOI 10.1021/np0701069
Molecular Weight 186.595 g/mol
Sample ID 31688
Solvent CDCl3