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4-(Benzyloxy)-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene

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4-(Benzyloxy)-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene
SpectraBase Compound ID Avcb38y9rr2
InChI InChI=1S/C21H20N2O6S/c1-15-7-9-18(10-8-15)30(27,28)22-17-11-12-21(20(22)24,19(13-17)23(25)26)29-14-16-5-3-2-4-6-16/h2-12,17,19H,13-14H2,1H3/t17-,19+,21-/m0/s1
InChIKey KNZIBJFRZSPVNA-DSKINZAPSA-N
Mol Weight 428.46 g/mol
Molecular Formula C21H20N2O6S
Exact Mass 428.104208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWIitwPCo9r
Name 4-(BENZYLOXY)-2-(4'-METHYLBENZENESULFONYL)-5-EXO-NITRO-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE
CAS Registry Number 141725-49-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N2O6S
InChI InChI=1S/C21H20N2O6S/c1-15-7-9-18(10-8-15)30(27,28)22-17-11-12-21(20(22)24,19(13-17)23(25)26)29-14-16-5-3-2-4-6-16/h2-12,17,19H,13-14H2,1H3/t17-,19+,21-/m0/s1
InChIKey KNZIBJFRZSPVNA-DSKINZAPSA-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 428.460 g/mol
Solvent CDCl3
Source File Reference UWCS3839