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1,4-DI-(8,9-DIDEHYDRO-6,8-DIMETHYLERGOLINE-1-YL-METHYL)-BENZENE
SpectraBase Compound ID IyLTEr73Td7
InChI InChI=1S/C40H42N4/c1-25-15-33-31-7-5-9-35-39(31)29(17-37(33)41(3)19-25)23-43(35)21-27-11-13-28(14-12-27)22-44-24-30-18-38-34(16-26(2)20-42(38)4)32-8-6-10-36(44)40(30)32/h5-16,23-24,33-34,37-38H,17-22H2,1-4H3/t33-,34-,37-,38-/m1/s1
InChIKey PLMTYOXYMFSLAE-MYZQXJPJSA-N
Mol Weight 578.8 g/mol
Molecular Formula C40H42N4
Exact Mass 578.340947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1Ar8lXeshq
Name 1,4-DI-(8,9-DIDEHYDRO-6,8-DIMETHYLERGOLINE-1-YL-METHYL)-BENZENE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42N4
InChI InChI=1S/C40H42N4/c1-25-15-33-31-7-5-9-35-39(31)29(17-37(33)41(3)19-25)23-43(35)21-27-11-13-28(14-12-27)22-44-24-30-18-38-34(16-26(2)20-42(38)4)32-8-6-10-36(44)40(30)32/h5-16,23-24,33-34,37-38H,17-22H2,1-4H3/t33-,34-,37-,38-/m1/s1
InChIKey PLMTYOXYMFSLAE-MYZQXJPJSA-N
Literature Reference Author V.KREN,A.FISEROVA,L.WEIGNEROVA,I.STIBOR,P.HALADA,V.PRIKRYLOV A,P.SEDMERA,M.POSPIS
Literature Reference Citation BIOORG.MED.CHEM.,10,415(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00291-7
Molecular Weight 578.800 g/mol
Solvent CDCl3
Source File Reference UWLU30919