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(+/-)-(CIS)-N,N-DIMETHYL-2-(2-OCTYLOXY-PHENYL-CARBAMOYLOXY)-CYCLOHEPTHYL-METHYLAMMONIUM-CHLORIDE
SpectraBase Compound ID Lomz9K9rd0M
InChI InChI=1S/C25H42N2O3.ClH/c1-4-5-6-7-8-14-19-29-24-18-13-12-16-22(24)26-25(28)30-23-17-11-9-10-15-21(23)20-27(2)3;/h12-13,16,18,21,23H,4-11,14-15,17,19-20H2,1-3H3,(H,26,28);1H/t21-,23-;/m1./s1
InChIKey NTHQHSLAPDUXET-BLDCTAJRSA-N
Mol Weight 455.1 g/mol
Molecular Formula C25H43ClN2O3
Exact Mass 454.296221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpP6eCVdkTr
Name (+/-)-(CIS)-N,N-DIMETHYL-2-(2-OCTYLOXY-PHENYL-CARBAMOYLOXY)-CYCLOHEPTHYL-METHYLAMMONIUM-CHLORIDE
Compound Number P2-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H43ClN2O3
InChI InChI=1S/C25H42N2O3.ClH/c1-4-5-6-7-8-14-19-29-24-18-13-12-16-22(24)26-25(28)30-23-17-11-9-10-15-21(23)20-27(2)3;/h12-13,16,18,21,23H,4-11,14-15,17,19-20H2,1-3H3,(H,26,28);1H/t21-,23-;/m1./s1
InChIKey NTHQHSLAPDUXET-BLDCTAJRSA-N
Literature Reference Author F.GREGAN,J.GREGAN,M.SKORSEPA
Literature Reference Citation CHEM.PHARM.BULL.,59,978(2011)
Literature Reference DOI 10.1248/cpb.59.978
Molecular Weight 455.081 g/mol
Source File Reference UWIR3461