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8-[N-(phenylsulfonyl)tryptophyl]-8-azabicyclo[4.2.0]oct-2-en-4-one
SpectraBase Compound ID DYQeuzUr0MV
InChI InChI=1S/C23H22N2O3S/c26-19-10-11-22-18(14-19)15-24(22)13-12-17-16-25(23-9-5-4-8-21(17)23)29(27,28)20-6-2-1-3-7-20/h1-11,16,18,22H,12-15H2
InChIKey FMMHTFJNKFOZAQ-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H22N2O3S
Exact Mass 406.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPqU3gT0oGW
Name 8-[N-(PHENYLSULFONYL)-TRYPTOPHYL]-8-AZABICYCLO-[4.2.0]-OCT-2-EN-4-ONE
CAS Registry Number 120230-13-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22N2O3S
InChI InChI=1S/C23H22N2O3S/c26-19-10-11-22-18(14-19)15-24(22)13-12-17-16-25(23-9-5-4-8-21(17)23)29(27,28)20-6-2-1-3-7-20/h1-11,16,18,22H,12-15H2
InChIKey FMMHTFJNKFOZAQ-UHFFFAOYSA-N
Literature Reference Author E.W.BAXTER,D.LABAREE,S.CHAO,P.S.MARIANO
Literature Reference Citation J.ORG.CHEM.,54,2893(1989)
Literature Reference DOI 10.1021/jo00273a024
Molecular Weight 406.499 g/mol
Solvent CDCl3
Source File Reference UWGB1317