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N-Butyl-atropinium cation (syn-butyl)

View entire compound with spectra: 1 NMR

N-Butyl-atropinium cation (syn-butyl)
SpectraBase Compound ID GSlDxTkOPiC
InChI InChI=1S/C21H32NO3/c1-3-4-12-22(2)17-10-11-18(22)14-19(13-17)25-21(24)20(15-23)16-8-6-5-7-9-16/h5-9,17-20,23H,3-4,10-15H2,1-2H3/q+1/t17-,18+,19+,20?,22+
InChIKey ZPLFTMSGAJIVDZ-SPAAPYINSA-N
Mol Weight 346.5 g/mol
Molecular Formula C21H32NO3
Exact Mass 346.238219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKRVzTubYKL
Name N-Butyl-atropinium cation (syn-butyl)
Comments bromide
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32NO3
InChI InChI=1S/C21H32NO3/c1-3-4-12-22(2)17-10-11-18(22)14-19(13-17)25-21(24)20(15-23)16-8-6-5-7-9-16/h5-9,17-20,23H,3-4,10-15H2,1-2H3/q+1/t17-,18+,19+,20?,22+
InChIKey ZPLFTMSGAJIVDZ-SPAAPYINSA-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