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(+/-)-(TRANS)-N,N-DIMETHYL-2-(2-BUTOXY-PHENYL-CARBAMOYLOXY)-CYCLOHEPTHYL-METHYLAMMONIUM-CHLORIDE
SpectraBase Compound ID HupoR6mWDZg
InChI InChI=1S/C21H34N2O3.ClH/c1-4-5-15-25-20-14-10-9-12-18(20)22-21(24)26-19-13-8-6-7-11-17(19)16-23(2)3;/h9-10,12,14,17,19H,4-8,11,13,15-16H2,1-3H3,(H,22,24);1H/t17-,19+;/m1./s1
InChIKey DGBBBQHJVVMLMW-ZFNKBKEPSA-N
Mol Weight 399.0 g/mol
Molecular Formula C21H35ClN2O3
Exact Mass 398.233621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gLW1Rk2OAs
Name (+/-)-(TRANS)-N,N-DIMETHYL-2-(2-BUTOXY-PHENYL-CARBAMOYLOXY)-CYCLOHEPTHYL-METHYLAMMONIUM-CHLORIDE
Compound Number P2-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H35ClN2O3
InChI InChI=1S/C21H34N2O3.ClH/c1-4-5-15-25-20-14-10-9-12-18(20)22-21(24)26-19-13-8-6-7-11-17(19)16-23(2)3;/h9-10,12,14,17,19H,4-8,11,13,15-16H2,1-3H3,(H,22,24);1H/t17-,19+;/m1./s1
InChIKey DGBBBQHJVVMLMW-ZFNKBKEPSA-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 398.974 g/mol
Source File Reference UWIR3465