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N,N'-[[[2-TRICYCLO-[3.3.1.1(3,7)]-METHYL]-AMINO]-ETHYL]-IMINO]-DI-ETHYLENE]-BIS-(4-METHOXYPHENYL)-ACETAMIDE]
SpectraBase Compound ID 6Uish0qw9rc
InChI InChI=1S/C35H49N5O4S/c1-43-30-7-3-25(4-8-30)20-32(41)36-11-14-40(15-12-37-33(42)21-26-5-9-31(44-2)10-6-26)16-13-38-34(45)39-35-22-27-17-28(23-35)19-29(18-27)24-35/h3-10,27-29H,11-24H2,1-2H3,(H,36,41)(H,37,42)(H2,38,39,45)/t27-,28+,29-,35-
InChIKey DHUXRRDBCWCWHL-PJQLKFEYSA-N
Mol Weight 635.9 g/mol
Molecular Formula C35H49N5O4S
Exact Mass 635.350526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MR9oD4BeLw
Name N,N'-[[[2-TRICYCLO-[3.3.1.1(3,7)]-METHYL]-AMINO]-ETHYL]-IMINO]-DI-ETHYLENE]-BIS-(4-METHOXYPHENYL)-ACETAMIDE]
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H49N5O4S
InChI InChI=1S/C35H49N5O4S/c1-43-30-7-3-25(4-8-30)20-32(41)36-11-14-40(15-12-37-33(42)21-26-5-9-31(44-2)10-6-26)16-13-38-34(45)39-35-22-27-17-28(23-35)19-29(18-27)24-35/h3-10,27-29H,11-24H2,1-2H3,(H,36,41)(H,37,42)(H2,38,39,45)/t27-,28+,29-,35-
InChIKey DHUXRRDBCWCWHL-PJQLKFEYSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,W.UCHIDA,S.TAKEMURA,J.ZHOU,H.AKI,T.MIYATA, K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,60,408(2012)
Literature Reference DOI 10.1248/cpb.60.408
Molecular Weight 635.865 g/mol
Source File Reference UWBT4339