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N,N'-[[[(2-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-YLTHIOUREIDO)-ETHYL]-IMINO]-DI-2,1-ETHANEDIYL]-BIS-(4-METHOXYBENZAMIDE)
SpectraBase Compound ID IZiamOto75H
InChI InChI=1S/C33H45N5O4S/c1-41-28-7-3-26(4-8-28)30(39)34-11-14-38(15-12-35-31(40)27-5-9-29(42-2)10-6-27)16-13-36-32(43)37-33-20-23-17-24(21-33)19-25(18-23)22-33/h3-10,23-25H,11-22H2,1-2H3,(H,34,39)(H,35,40)(H2,36,37,43)/t23-,24+,25-,33-
InChIKey NDOQLGSOCNMWNA-JQUFHHSGSA-N
Mol Weight 607.8 g/mol
Molecular Formula C33H45N5O4S
Exact Mass 607.319226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9m74EhnZX3Q
Name N,N'-[[[(2-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-YLTHIOUREIDO)-ETHYL]-IMINO]-DI-2,1-ETHANEDIYL]-BIS-(4-METHOXYBENZAMIDE)
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45N5O4S
InChI InChI=1S/C33H45N5O4S/c1-41-28-7-3-26(4-8-28)30(39)34-11-14-38(15-12-35-31(40)27-5-9-29(42-2)10-6-27)16-13-36-32(43)37-33-20-23-17-24(21-33)19-25(18-23)22-33/h3-10,23-25H,11-22H2,1-2H3,(H,34,39)(H,35,40)(H2,36,37,43)/t23-,24+,25-,33-
InChIKey NDOQLGSOCNMWNA-JQUFHHSGSA-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 607.811 g/mol
Source File Reference UWBT4335