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(R)-2-CHLORO-6-[2-HYDROXY-3-[[2-METHYL-1-(NAPHTHALEN-2-YL)-PROPAN-2-YL]-AMINO]-PROPOXY]-BENZONITRILE-HYDROCHLORIDE
SpectraBase Compound ID GmpSECAcw8E
InChI InChI=1S/C24H25ClN2O2.ClH/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26;/h3-12,20,27-28H,13,15-16H2,1-2H3;1H/t20-;/m1./s1
InChIKey ZEBNDUQLNGYBNL-VEIFNGETSA-N
Mol Weight 445.39 g/mol
Molecular Formula C24H26Cl2N2O2
Exact Mass 444.137133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQFo2S0nn2l
Name (R)-2-CHLORO-6-[2-HYDROXY-3-[[2-METHYL-1-(NAPHTHALEN-2-YL)-PROPAN-2-YL]-AMINO]-PROPOXY]-BENZONITRILE-HYDROCHLORIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26Cl2N2O2
InChI InChI=1S/C24H25ClN2O2.ClH/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26;/h3-12,20,27-28H,13,15-16H2,1-2H3;1H/t20-;/m1./s1
InChIKey ZEBNDUQLNGYBNL-VEIFNGETSA-N
Literature Reference Author H.JOHANSSON,T.CAILLY,A.R.B.THOMSEN,H.BRAEUNER-OSBORNE,D.S.PE DERSEN
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1383(2013)
Literature Reference DOI 10.3762/bjoc.9.154
Molecular Weight 445.389 g/mol
Solvent DMSO-D6
Source File Reference UWLU77131