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PIBOCIN-B;(8-BETA)-2-BROMO-N-O-METHYL-6,8-DIMETHYLERGOLINE
SpectraBase Compound ID 5L25flQlCAb
InChI InChI=1S/C17H21BrN2O/c1-10-7-12-11-5-4-6-14-16(11)13(17(18)20(14)21-3)8-15(12)19(2)9-10/h4-6,10,12,15H,7-9H2,1-3H3/t10-,12-,15-/m1/s1
InChIKey ZCNGIHGSYMIIIR-IXPVHAAZSA-N
Mol Weight 349.27 g/mol
Molecular Formula C17H21BrN2O
Exact Mass 348.083726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NTrErVE86D
Name PIBOCIN-B;(8-BETA)-2-BROMO-N-O-METHYL-6,8-DIMETHYLERGOLINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21BrN2O
InChI InChI=1S/C17H21BrN2O/c1-10-7-12-11-5-4-6-14-16(11)13(17(18)20(14)21-3)8-15(12)19(2)9-10/h4-6,10,12,15H,7-9H2,1-3H3/t10-,12-,15-/m1/s1
InChIKey ZCNGIHGSYMIIIR-IXPVHAAZSA-N
Literature Reference Author T.N.MAKARIEVA,A.S.DMITRENOK,P.S.DMITRENOK,B.B.GREBNEV,V.A.ST ONIK
Literature Reference Citation J.NAT.PROD.,64,1559(2001)
Literature Reference DOI 10.1021/np010161w
Molecular Weight 349.271 g/mol
Solvent C5D5N
Source File Reference UWSI2412