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4-(BENZYLOXY)-5-ENDO-(HYDROXYMETHYL)-2-(4'-METHYLBENZENESULFONYL)-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE
SpectraBase Compound ID AyvtBQZnCjQ
InChI InChI=1S/C22H23NO5S/c1-16-7-9-20(10-8-16)29(26,27)23-19-11-12-22(21(23)25,18(13-19)14-24)28-15-17-5-3-2-4-6-17/h2-12,18-19,24H,13-15H2,1H3/t18-,19+,22+/m1/s1
InChIKey IHQJAKTZLMRDCO-DXIQSLLYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C22H23NO5S
Exact Mass 413.129694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcTQzgmfLro
Name 4-(BENZYLOXY)-5-ENDO-(HYDROXYMETHYL)-2-(4'-METHYLBENZENESULFONYL)-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23NO5S
InChI InChI=1S/C22H23NO5S/c1-16-7-9-20(10-8-16)29(26,27)23-19-11-12-22(21(23)25,18(13-19)14-24)28-15-17-5-3-2-4-6-17/h2-12,18-19,24H,13-15H2,1H3/t18-,19+,22+/m1/s1
InChIKey IHQJAKTZLMRDCO-DXIQSLLYSA-N
Literature Reference Author G.H.POSNER,V.VINADER,K.AFARINKIA
Literature Reference Citation J.ORG.CHEM.,57,4088(1992)
Literature Reference DOI 10.1021/jo00041a010
Molecular Weight 413.488 g/mol
Solvent CDCl3
Source File Reference UWCS3848