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(+/-)-(TRANS)-N,N-DIMETHYL-2-(2-PENTYLOXY-PHENYL-CARBAMOYLOXY)-CYCLOHEPTHYL-METHYLAMMONIUM-CHLORIDE

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(+/-)-(TRANS)-N,N-DIMETHYL-2-(2-PENTYLOXY-PHENYL-CARBAMOYLOXY)-CYCLOHEPTHYL-METHYLAMMONIUM-CHLORIDE
SpectraBase Compound ID JgEBcBuf5Ke
InChI InChI=1S/C22H36N2O3.ClH/c1-4-5-11-16-26-21-15-10-9-13-19(21)23-22(25)27-20-14-8-6-7-12-18(20)17-24(2)3;/h9-10,13,15,18,20H,4-8,11-12,14,16-17H2,1-3H3,(H,23,25);1H/t18-,20+;/m1./s1
InChIKey JOTMLJOUPUREBV-VDWUQFQWSA-N
Mol Weight 413.0 g/mol
Molecular Formula C22H37ClN2O3
Exact Mass 412.249271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7l1IexvmCSA
Name (+/-)-(TRANS)-N,N-DIMETHYL-2-(2-PENTYLOXY-PHENYL-CARBAMOYLOXY)-CYCLOHEPTHYL-METHYLAMMONIUM-CHLORIDE
Compound Number P2-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H37ClN2O3
InChI InChI=1S/C22H36N2O3.ClH/c1-4-5-11-16-26-21-15-10-9-13-19(21)23-22(25)27-20-14-8-6-7-12-18(20)17-24(2)3;/h9-10,13,15,18,20H,4-8,11-12,14,16-17H2,1-3H3,(H,23,25);1H/t18-,20+;/m1./s1
InChIKey JOTMLJOUPUREBV-VDWUQFQWSA-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 413.000 g/mol
Source File Reference UWIR3466