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3,5-DIMETHYL-8-HYDROXY-7-METHOXY-3,4-DIHYDROISOCOUMARIN
SpectraBase Compound ID 1aF257z5r85
InChI InChI=1S/C12H14O4/c1-6-4-9(15-3)11(13)10-8(6)5-7(2)16-12(10)14/h4,7,13H,5H2,1-3H3
InChIKey LBKKWDZRPZHFNQ-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqhPTrL3XNJ
Name 3,5-DIMETHYL-8-HYDROXY-7-METHOXY-3,4-DIHYDROISOCOUMARIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-6-4-9(15-3)11(13)10-8(6)5-7(2)16-12(10)14/h4,7,13H,5H2,1-3H3
InChIKey LBKKWDZRPZHFNQ-UHFFFAOYSA-N
Literature Reference Author T.KOKUBUN,N.C.VEITCH,P.D.BRIDGE,M.S.J.SIMMONDS
Literature Reference Citation PHYTOCHEM.,62,779(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00606-4
Molecular Weight 222.241 g/mol
Solvent CDCl3
Source File Reference UWVN26925