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6-HYDROXY-4-HYDROXYMETHYL-8-METHOXY-3-METHYL-ISOCOUMARIN
SpectraBase Compound ID LskxXD3bzoz
InChI InChI=1S/C12H12O5/c1-6-9(5-13)8-3-7(14)4-10(16-2)11(8)12(15)17-6/h3-4,13-14H,5H2,1-2H3
InChIKey XEJHQUMKTGNSBW-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Cf2VSdKZfe
Name 6-HYDROXY-4-HYDROXYMETHYL-8-METHOXY-3-METHYL-ISOCOUMARIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-6-9(5-13)8-3-7(14)4-10(16-2)11(8)12(15)17-6/h3-4,13-14H,5H2,1-2H3
InChIKey XEJHQUMKTGNSBW-UHFFFAOYSA-N
Literature Reference Author H.HUANG,Q.LI,X.FENG,B.CHEN,J.WANG,L.LIU,Z.SHE,Y.LIN
Literature Reference Citation MAGN.RES.CHEM.,48,496(2010)
Molecular Weight 236.224 g/mol
Solvent DMSO-D6
Source File Reference UWIR16277