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METHYL-(2S,2AS,5AS,8S)-8-[(1R,2S)-2-PHENYLCYCLOHEXYLOXY]-1,9-DIOXA-9A-AZACYCLOPENT-[C]-INDENE-2-CARBOXYLATE
SpectraBase Compound ID BWne0rkIPGK
InChI InChI=1S/C23H31NO5/c1-26-22(25)21-18-11-7-14-23(18)15-13-20(28-24(23)29-21)27-19-12-6-5-10-17(19)16-8-3-2-4-9-16/h2-4,8-9,17-21H,5-7,10-15H2,1H3/t17-,18-,19-,20+,21+,23+/m1/s1
InChIKey PHJBOENQGWFIBY-FRHHDCHOSA-N
Mol Weight 401.5 g/mol
Molecular Formula C23H31NO5
Exact Mass 401.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YcxtCIwRt8
Name METHYL-(2S,2AS,5AS,8S)-8-[(1R,2S)-2-PHENYLCYCLOHEXYLOXY]-1,9-DIOXA-9A-AZACYCLOPENT-[C]-INDENE-2-CARBOXYLATE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO5
InChI InChI=1S/C23H31NO5/c1-26-22(25)21-18-11-7-14-23(18)15-13-20(28-24(23)29-21)27-19-12-6-5-10-17(19)16-8-3-2-4-9-16/h2-4,8-9,17-21H,5-7,10-15H2,1H3/t17-,18-,19-,20+,21+,23+/m1/s1
InChIKey PHJBOENQGWFIBY-FRHHDCHOSA-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 401.503 g/mol
Sample ID 27965
Solvent CDCl3