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Scopolaminium cation

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Scopolaminium cation
SpectraBase Compound ID IcViudfW09T
InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1
InChIKey STECJAGHUSJQJN-UHFFFAOYSA-O
Mol Weight 304.37 g/mol
Molecular Formula C17H22NO4
Exact Mass 304.154883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ib3d0aPgwfx
Name Scopolaminium cation
CAS Registry Number 138-12-5
Comments N-METHYL IS AXIAL REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22NO4
InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1
InChIKey STECJAGHUSJQJN-UHFFFAOYSA-O
Instrument Name Varian XL-100
Literature Reference J. Feeney, R. Foster, E.A. Piper, J. Chem. Soc. Perkin II 2016 (1977).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O