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ESC-II;N-(CHLOROMETHYL)-3-[5-CYANO-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-N,N-DIMETHYLPROPAN-1-AMINIUM
SpectraBase Compound ID 7Cywcn7Y2wu
InChI InChI=1S/C21H23ClFN2O/c1-25(2,15-22)11-3-10-21(18-5-7-19(23)8-6-18)20-9-4-16(13-24)12-17(20)14-26-21/h4-9,12H,3,10-11,14-15H2,1-2H3/t21-/m1/s1
InChIKey HJYIMZXNRNAZGR-OAQYLSRUSA-N
Mol Weight 373.88 g/mol
Molecular Formula C21H23ClFN2O
Exact Mass 373.148294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBAhnqRnrTB
Name ESC-II;N-(CHLOROMETHYL)-3-[5-CYANO-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-N,N-DIMETHYLPROPAN-1-AMINIUM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23ClFN2O
InChI InChI=1S/C21H23ClFN2O/c1-25(2,15-22)11-3-10-21(18-5-7-19(23)8-6-18)20-9-4-16(13-24)12-17(20)14-26-21/h4-9,12H,3,10-11,14-15H2,1-2H3/t21-/m1/s1
InChIKey HJYIMZXNRNAZGR-OAQYLSRUSA-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 373.878 g/mol
Solvent CDCl3
Source File Reference UWMZ44190