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1',2',2,2,4,4-Hexadeuterio-N-methyl-atropinium cation

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1',2',2,2,4,4-Hexadeuterio-N-methyl-atropinium cation
SpectraBase Compound ID LmuESuixpa2
InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17?/i10D2,11D2,12D,17D/t12?,14-,15+,16+,17?
InChIKey PIPAJLPNWZMYQA-AINYDKCZSA-N
Mol Weight 310.45 g/mol
Molecular Formula C18H20D6NO3
Exact Mass 310.228929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWoEAv8ZiK9
Name 1',2',2,2,4,4-Hexadeuterio-N-methyl-atropinium cation
Comments bromide
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20D6NO3
InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17?/i10D2,11D2,12D,17D/t12?,14-,15+,16+,17?
InChIKey PIPAJLPNWZMYQA-AINYDKCZSA-N
Instrument Name Varian XL-100
Literature Reference K.H. Pook, W. Schulz, Liebigs Ann. Chem. 1499 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD