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(+)-8-BETA-CYANO-9,10-DIDEHYDRO-6-METHYLERGOLINE
SpectraBase Compound ID HtyozanPMeU
InChI InChI=1S/C16H15N3/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-5,8,10,15,18H,6,9H2,1H3/t10-,15+/m0/s1
InChIKey ZHQKLWUYIMNDKG-ZUZCIYMTSA-N
Mol Weight 249.32 g/mol
Molecular Formula C16H15N3
Exact Mass 249.126597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPxpu5jOfS5
Name (+)-8-BETA-CYANO-9,10-DIDEHYDRO-6-METHYLERGOLINE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3
InChI InChI=1S/C16H15N3/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-5,8,10,15,18H,6,9H2,1H3/t10-,15+/m0/s1
InChIKey ZHQKLWUYIMNDKG-ZUZCIYMTSA-N
Literature Reference Author I.MOLDVAI,E.TEMESVARI-MAJOR,M.INCZE,E.SZENTIRMAY,E.GACS-BAIT Z,C.SZANTAY
Literature Reference Citation J.ORG.CHEM.,69,5993(2004)
Literature Reference DOI 10.1021/jo049209b
Molecular Weight 249.315 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWVN22371