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ESC-III;N-(CHLOROMETHYL)-4-[4-CYANO-2-(HYDROXYMETHYL)-PHENYL]-4-(4-FLUOROPHENYL)-4-HYDROXY-N,N-DIMETHYLBUTAN-1-AMINIUM
SpectraBase Compound ID DEBjKdYqUph
InChI InChI=1S/C21H25ClFN2O2/c1-25(2,15-22)11-3-10-21(27,18-5-7-19(23)8-6-18)20-9-4-16(13-24)12-17(20)14-26/h4-9,12,26-27H,3,10-11,14-15H2,1-2H3/q+1/t21-/m0/s1
InChIKey ZUFICJQQWALNSX-NRFANRHFSA-N
Mol Weight 391.89 g/mol
Molecular Formula C21H25ClFN2O2
Exact Mass 391.158859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ei3HUwK0rNO
Name ESC-III;N-(CHLOROMETHYL)-4-[4-CYANO-2-(HYDROXYMETHYL)-PHENYL]-4-(4-FLUOROPHENYL)-4-HYDROXY-N,N-DIMETHYLBUTAN-1-AMINIUM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClFN2O2
InChI InChI=1S/C21H25ClFN2O2/c1-25(2,15-22)11-3-10-21(27,18-5-7-19(23)8-6-18)20-9-4-16(13-24)12-17(20)14-26/h4-9,12,26-27H,3,10-11,14-15H2,1-2H3/q+1/t21-/m0/s1
InChIKey ZUFICJQQWALNSX-NRFANRHFSA-N
Literature Reference Author B.RAMAN,B.A.SHARMA,P.D.GHUGARE,S.NANDAVADEKAR,D.SINGH,P.K.KA RMUSE,A.KUMAR
Literature Reference Citation J.PHARM.BIOM.ANAL.,53,895(2010)
Literature Reference DOI 10.1016/j.jpba.2010.06.019
Molecular Weight 391.893 g/mol
Solvent CDCl3
Source File Reference UWMZ44191