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N-Octyl-atropinium cation (anti-octyl)
SpectraBase Compound ID 2RIhjFXK0Fi
InChI InChI=1S/C25H40NO3/c1-3-4-5-6-7-11-16-26(2)21-14-15-22(26)18-23(17-21)29-25(28)24(19-27)20-12-9-8-10-13-20/h8-10,12-13,21-24,27H,3-7,11,14-19H2,1-2H3/q+1/t21-,22+,23+,24?,26-
InChIKey XQIDVDQPJDMFHO-QZLNMYTFSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H40NO3
Exact Mass 402.300819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3v3Vk2DRsr2
Name N-Octyl-atropinium cation (anti-octyl)
Comments BROMIDE, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H40NO3
InChI InChI=1S/C25H40NO3/c1-3-4-5-6-7-11-16-26(2)21-14-15-22(26)18-23(17-21)29-25(28)24(19-27)20-12-9-8-10-13-20/h8-10,12-13,21-24,27H,3-7,11,14-19H2,1-2H3/q+1/t21-,22+,23+,24?,26-
InChIKey XQIDVDQPJDMFHO-QZLNMYTFSA-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