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METHYL-(2R*,2AS*,6AS*)-9-BUTOXYOCTAHYDRO-1,10-DIOXA-10A-AZACYCLOHEX-[C]-INDENE-2-CARBOXYLATE;MAJOR-DIASTEREOMER
SpectraBase Compound ID 8dxeXLY9DyW
InChI InChI=1S/C16H27NO5/c1-3-4-11-20-13-8-10-16-9-6-5-7-12(16)14(15(18)19-2)22-17(16)21-13/h12-14H,3-11H2,1-2H3/t12-,13+,14-,16+/m0/s1
InChIKey DVCYSKZAMFBFPB-KNCOVGOOSA-N
Mol Weight 313.39 g/mol
Molecular Formula C16H27NO5
Exact Mass 313.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vcWdxI7bPI
Name METHYL-(2R*,2AS*,6AS*)-9-BUTOXYOCTAHYDRO-1,10-DIOXA-10A-AZACYCLOHEX-[C]-INDENE-2-CARBOXYLATE;MAJOR-DIASTEREOMER
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27NO5
InChI InChI=1S/C16H27NO5/c1-3-4-11-20-13-8-10-16-9-6-5-7-12(16)14(15(18)19-2)22-17(16)21-13/h12-14H,3-11H2,1-2H3/t12-,13+,14-,16+/m0/s1
InChIKey DVCYSKZAMFBFPB-KNCOVGOOSA-N
Literature Reference Author S.E.DENMARK,D.S.MIDDLETON
Literature Reference Citation J.ORG.CHEM.,63,1604(1998)
Literature Reference DOI 10.1021/jo9719057
Molecular Weight 313.394 g/mol
Sample ID 27958
Solvent CDCl3