For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-DIBROMO-2-BROMOMETHYL-2-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-PROPANE
SpectraBase Compound ID I5ChO3XKBY0
InChI InChI=1S/C25H35Br3N4O/c1-4-31(5-2)24(33)29-18-10-20-19-7-6-8-21-23(19)17(9-22(20)30(3)12-18)11-32(21)16-25(13-26,14-27)15-28/h6-8,11,18,20,22H,4-5,9-10,12-16H2,1-3H3,(H,29,33)/t18-,20+,22+/m0/s1
InChIKey FTWXVVMOSLJGHA-CZTZKLFOSA-N
Mol Weight 647.3 g/mol
Molecular Formula C25H35Br3N4O
Exact Mass 644.036101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H1vD4IJwcJ2
Name 1,3-DIBROMO-2-BROMOMETHYL-2-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-PROPANE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35Br3N4O
InChI InChI=1S/C25H35Br3N4O/c1-4-31(5-2)24(33)29-18-10-20-19-7-6-8-21-23(19)17(9-22(20)30(3)12-18)11-32(21)16-25(13-26,14-27)15-28/h6-8,11,18,20,22H,4-5,9-10,12-16H2,1-3H3,(H,29,33)/t18-,20+,22+/m0/s1
InChIKey FTWXVVMOSLJGHA-CZTZKLFOSA-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 647.291 g/mol
Solvent CDCl3
Source File Reference UWLU30926