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2,6-DIMETHYL_1-OXO-4-INDANECARBOXYLIC_ACID
SpectraBase Compound ID 4V72XtqUmrI
InChI InChI=1S/C12H12O3/c1-6-3-9-8(5-7(2)11(9)13)10(4-6)12(14)15/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKey ASNYCVAGBSOWNP-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6C5Eqs9cxiP
Name 2,6-DIMETHYL_1-OXO-4-INDANECARBOXYLIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-6-3-9-8(5-7(2)11(9)13)10(4-6)12(14)15/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKey ASNYCVAGBSOWNP-UHFFFAOYSA-N
Literature Reference Author A.M.ADELAKAN,E.A.PROZESKY,A.A.HUSSEIN,L.D.URENA,P.H.VANROOYE N,D.C.LILES,J.J.M.ME
Literature Reference Citation J.NAT.PROD.,71,1919(2008)
Literature Reference DOI 10.1021/np800333r
Molecular Weight 204.225 g/mol
Sample ID 29310
Solvent CDCl3