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HUNNEMANINE
SpectraBase Compound ID B8LvI579jSE
InChI InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3
InChIKey RSMSJQDBPYSXHH-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85W1lEgKox0
Name Hunnemannine
CAS Registry Number 490-52-8
Comments SHIFT OF 174.4 PPM REPORTED FOR C17 MUST BE IN ERROR (FOLDED ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3
InChIKey RSMSJQDBPYSXHH-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference T.T. Nakashima, G.E. Maciel, Org. Magn. Resonance 5, 9 (1973).
NMR Standard Cyclohexane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3