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2-[N-(phenylsulfonyl)tryptophyl]-7-endo-[1,1-(ethylenedioxy)ethyl]isoquinuclidene

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2-[N-(phenylsulfonyl)tryptophyl]-7-endo-[1,1-(ethylenedioxy)ethyl]isoquinuclidene
SpectraBase Compound ID FzP9NadDF0k
InChI InChI=1S/C27H30N2O4S/c1-27(32-15-16-33-27)24-17-20-11-12-26(24)28(18-20)14-13-21-19-29(25-10-6-5-9-23(21)25)34(30,31)22-7-3-2-4-8-22/h2-12,19-20,24,26H,13-18H2,1H3/t20-,24+,26+/m0/s1
InChIKey JSWNPJKQWBGFCX-HQCZVFHSSA-N
Mol Weight 478.61 g/mol
Molecular Formula C27H30N2O4S
Exact Mass 478.192629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KqpmOpSYzSV
Name 2-[N-(PHENYLSULFONYL)-TRYPTOPHYL]-7-ENDO-[1,1-(ETHYLENEDIOXY)-ETHYL]-ISOQUINUCLIDENE
CAS Registry Number 120230-10-6
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N2O4S
InChI InChI=1S/C27H30N2O4S/c1-27(32-15-16-33-27)24-17-20-11-12-26(24)28(18-20)14-13-21-19-29(25-10-6-5-9-23(21)25)34(30,31)22-7-3-2-4-8-22/h2-12,19-20,24,26H,13-18H2,1H3/t20-,24+,26+/m0/s1
InChIKey JSWNPJKQWBGFCX-HQCZVFHSSA-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 478.606 g/mol
Solvent CDCl3
Source File Reference UWGB1299