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Diacetyl-3,5-dimethyl-orsellinic acid, ethyl ester
SpectraBase Compound ID JavvAZL1OGy
InChI InChI=1S/C16H20O6/c1-7-20-16(19)13-8(2)9(3)14(21-11(5)17)10(4)15(13)22-12(6)18/h7H2,1-6H3
InChIKey BBRMZOAHJPFNGO-UHFFFAOYSA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eO9iF8SKu5
Name Diacetyl-3,5-dimethyl-orsellinic acid, ethyl ester
CAS Registry Number 103411-58-1
Comments 80 MHZ SPECTRUM, 13C AND 18O LABELED, SHIFTVALUE FROM 13.20 IS CHANGED TO 14.20 PPM, LINE AT 12.90 PPM IS ELEMINATED, REASSIGNED A.H.
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Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-7-20-16(19)13-8(2)9(3)14(21-11(5)17)10(4)15(13)22-12(6)18/h7H2,1-6H3
InChIKey BBRMZOAHJPFNGO-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference S.A. Ahmed, F.E. Scott, T.J. Simpson, J. Chem. Soc. Perkin I 807 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3