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2-[(1-PHENYLSULFONYL)-TRYPTOPHYL]-4-(TERT.-BUTOXYCARBONYL)-5-CYANO-6-METHOXY-7-(TRIMETHYLSILOXY)-1,2,5,6,7,8,9,10-OCTAHYDROISOQUINOLINE

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2-[(1-PHENYLSULFONYL)-TRYPTOPHYL]-4-(TERT.-BUTOXYCARBONYL)-5-CYANO-6-METHOXY-7-(TRIMETHYLSILOXY)-1,2,5,6,7,8,9,10-OCTAHYDROISOQUINOLINE
SpectraBase Compound ID 68gZ1BR4kX9
InChI InChI=1S/C35H45N3O6SSi/c1-35(2,3)43-34(39)29-23-37(21-25-19-31(44-46(5,6)7)33(42-4)28(20-36)32(25)29)18-17-24-22-38(30-16-12-11-15-27(24)30)45(40,41)26-13-9-8-10-14-26/h8-16,22-23,25,28,31-33H,17-19,21H2,1-7H3/t25-,28+,31-,32+,33-/m1/s1
InChIKey SSHHNDYIAAYAJQ-INRYUVOSSA-N
Mol Weight 663.9 g/mol
Molecular Formula C35H45N3O6SSi
Exact Mass 663.279834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Yh32L56MhB
Name 2-[(1-PHENYLSULFONYL)-TRYPTOPHYL]-4-(TERT.-BUTOXYCARBONYL)-5-CYANO-6-METHOXY-7-(TRIMETHYLSILOXY)-1,2,5,6,7,8,9,10-OCTAHYDROISOQUINOLINE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H45N3O6SSi
InChI InChI=1S/C35H45N3O6SSi/c1-35(2,3)43-34(39)29-23-37(21-25-19-31(44-46(5,6)7)33(42-4)28(20-36)32(25)29)18-17-24-22-38(30-16-12-11-15-27(24)30)45(40,41)26-13-9-8-10-14-26/h8-16,22-23,25,28,31-33H,17-19,21H2,1-7H3/t25-,28+,31-,32+,33-/m1/s1
InChIKey SSHHNDYIAAYAJQ-INRYUVOSSA-N
Literature Reference Author E.W.BAXTER,D.LABAREE,H.L.AMMON,P.S.MARIANO
Literature Reference Citation J.AM.CHEM.SOC.,112,7682(1990)
Literature Reference DOI 10.1021/ja00177a032
Molecular Weight 663.904 g/mol
Solvent CDCl3
Source File Reference UWSI1028