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MAJOR_ISOMER
SpectraBase Compound ID Ks0ou1DLvG6
InChI InChI=1S/C12H9ClO3/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H,14,15)/b8-6-
InChIKey WMKQQACRJZCVTG-VURMDHGXSA-N
Mol Weight 236.65 g/mol
Molecular Formula C12H9ClO3
Exact Mass 236.024022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CE7nWpiqESD
Name MAJOR_ISOMER
Compound Number (E)-4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9ClO3
InChI InChI=1S/C12H9ClO3/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H,14,15)/b8-6-
InChIKey WMKQQACRJZCVTG-VURMDHGXSA-N
Literature Reference Author J.KORNSAKULKARN,C.THONGPANCHANG,R.CHAINOY,W.CHOOWONG,S.NITHI THANASILP,T.THONGPAN
Literature Reference Citation J.NAT.PROD.,73,759(2010)
Literature Reference DOI 10.1021/np900777r
Molecular Weight 236.655 g/mol
Sample ID 35389
Solvent CDCl3