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METHYL-2-(CIS-4-TERT.-BUTYLCYCLOHEXYL)-2,3-DIHYDROXY-1-OXOINDONYL-3-CARBOXYLATE
SpectraBase Compound ID DWRdFXcgMI7
InChI InChI=1S/C21H28O5/c1-19(2,3)13-9-11-14(12-10-13)20(24)17(22)15-7-5-6-8-16(15)21(20,25)18(23)26-4/h5-8,13-14,24-25H,9-12H2,1-4H3/t13-,14+,20-,21+/m1/s1
InChIKey IJTCJMQGDZHTKB-LXPSQPKGSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UhvZWcWwFy
Name METHYL-2-(CIS-4-TERT.-BUTYLCYCLOHEXYL)-2,3-DIHYDROXY-1-OXOINDONYL-3-CARBOXYLATE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-19(2,3)13-9-11-14(12-10-13)20(24)17(22)15-7-5-6-8-16(15)21(20,25)18(23)26-4/h5-8,13-14,24-25H,9-12H2,1-4H3/t13-,14+,20-,21+/m1/s1
InChIKey IJTCJMQGDZHTKB-LXPSQPKGSA-N
Literature Reference Author I.D.CUNNINGHAM,T.N.DANKS,K.T.A.O.CONNELL,P.W.SCOTT
Literature Reference Citation J.ORG.CHEM.,64,7330(1999)
Literature Reference DOI 10.1021/jo990297n
Molecular Weight 360.450 g/mol
Sample ID 59356
Solvent CDCl3