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8-[N-(PHENYLSULFONYL)-TRYPTOPHYL]-8-AZA-4-(1'-HYDROXYETHYL)-4-HYDROXYBICYCLO-[4.2.0]-OCT-2-ENE
SpectraBase Compound ID 6r9gLuOdXyJ
InChI InChI=1S/C25H28N2O4S/c1-18(28)25(29)13-11-23-20(15-25)16-26(23)14-12-19-17-27(24-10-6-5-9-22(19)24)32(30,31)21-7-3-2-4-8-21/h2-11,13,17-18,20,23,28-29H,12,14-16H2,1H3
InChIKey DBMLNTGPTQFSSI-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C25H28N2O4S
Exact Mass 452.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOVOisjKeKm
Name 8-[N-(PHENYLSULFONYL)-TRYPTOPHYL]-8-AZA-4-(1'-HYDROXYETHYL)-4-HYDROXYBICYCLO-[4.2.0]-OCT-2-ENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N2O4S
InChI InChI=1S/C25H28N2O4S/c1-18(28)25(29)13-11-23-20(15-25)16-26(23)14-12-19-17-27(24-10-6-5-9-22(19)24)32(30,31)21-7-3-2-4-8-21/h2-11,13,17-18,20,23,28-29H,12,14-16H2,1H3
InChIKey DBMLNTGPTQFSSI-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 452.568 g/mol
Solvent CDCl3
Source File Reference UWGB1316