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8,9-didehydro-6,8-dimethylergoline
SpectraBase Compound ID JvPdYDV67vA
InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1
InChIKey XJOOMMHNYOJWCZ-UKRRQHHQSA-N
Mol Weight 238.33 g/mol
Molecular Formula C16H18N2
Exact Mass 238.146999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Exf7spzYdWh
Name AGROCLAVINE
CAS Registry Number 548-42-5
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1
InChIKey XJOOMMHNYOJWCZ-UKRRQHHQSA-N
Literature Reference Author N.J.BACH,H.E.BOAZ,E.C.KORNFELD,C.J.CHANG,H.G.FLOSS,E.W.HAGAM AN,E.WENKERT
Literature Reference Citation J.ORG.CHEM.,39,1272(1974)
Literature Reference DOI 10.1021/jo00923a025
Molecular Weight 238.332 g/mol
Solvent PYRIDINE-D5
Source File Reference UNIW12078