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2-[N-(PHENYLSULFONYL)-TRYPTOPHYL]-7-ENDO-ACETYL-ISOQUINUCLIDENE
SpectraBase Compound ID KaTIgD9XdCs
InChI InChI=1S/C25H26N2O3S/c1-18(28)23-15-19-11-12-24(23)26(16-19)14-13-20-17-27(25-10-6-5-9-22(20)25)31(29,30)21-7-3-2-4-8-21/h2-12,17,19,23-24H,13-16H2,1H3/t19-,23-,24+/m0/s1
InChIKey DKPKOYOSAHLPLR-WDJPJFJCSA-N
Mol Weight 434.55 g/mol
Molecular Formula C25H26N2O3S
Exact Mass 434.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67TlmndJSef
Name 2-[N-(PHENYLSULFONYL)-TRYPTOPHYL]-7-ENDO-ACETYL-ISOQUINUCLIDENE
CAS Registry Number 120230-11-7
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26N2O3S
InChI InChI=1S/C25H26N2O3S/c1-18(28)23-15-19-11-12-24(23)26(16-19)14-13-20-17-27(25-10-6-5-9-22(20)25)31(29,30)21-7-3-2-4-8-21/h2-12,17,19,23-24H,13-16H2,1H3/t19-,23-,24+/m0/s1
InChIKey DKPKOYOSAHLPLR-WDJPJFJCSA-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 434.553 g/mol
Solvent CDCl3
Source File Reference UWGB1300