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PIBOCIN-A;(8-BETA)-2-BROMO-6,8-DIMETHYLERGOLINE
SpectraBase Compound ID KHxyxNqeCcc
InChI InChI=1S/C16H19BrN2/c1-9-6-11-10-4-3-5-13-15(10)12(16(17)18-13)7-14(11)19(2)8-9/h3-5,9,11,14,18H,6-8H2,1-2H3/t9-,11-,14-/m1/s1
InChIKey FPGWUIMYQFVIIY-GLXFQSAKSA-N
Mol Weight 319.25 g/mol
Molecular Formula C16H19BrN2
Exact Mass 318.073162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5GmHWbNZ2u
Name PIBOCIN-A;(8-BETA)-2-BROMO-6,8-DIMETHYLERGOLINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19BrN2
InChI InChI=1S/C16H19BrN2/c1-9-6-11-10-4-3-5-13-15(10)12(16(17)18-13)7-14(11)19(2)8-9/h3-5,9,11,14,18H,6-8H2,1-2H3/t9-,11-,14-/m1/s1
InChIKey FPGWUIMYQFVIIY-GLXFQSAKSA-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 319.244 g/mol
Solvent C5D5N
Source File Reference UWSI2411