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1-(6-BROMOHEXYL)-6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE
SpectraBase Compound ID DRrs5qWBWFy
InChI InChI=1S/C26H39BrN4O/c1-4-30(5-2)26(32)28-20-16-22-21-11-10-12-23-25(21)19(15-24(22)29(3)18-20)17-31(23)14-9-7-6-8-13-27/h10-12,17,20,22,24H,4-9,13-16,18H2,1-3H3,(H,28,32)/t20-,22+,24+/m0/s1
InChIKey FGLWECUBHWRQLC-BGWNEDDSSA-N
Mol Weight 503.5 g/mol
Molecular Formula C26H39BrN4O
Exact Mass 502.230725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64217GYLfwW
Name 1-(6-BROMOHEXYL)-6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H39BrN4O
InChI InChI=1S/C26H39BrN4O/c1-4-30(5-2)26(32)28-20-16-22-21-11-10-12-23-25(21)19(15-24(22)29(3)18-20)17-31(23)14-9-7-6-8-13-27/h10-12,17,20,22,24H,4-9,13-16,18H2,1-3H3,(H,28,32)/t20-,22+,24+/m0/s1
InChIKey FGLWECUBHWRQLC-BGWNEDDSSA-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 503.526 g/mol
Solvent CDCl3
Source File Reference UWLU30933