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IMPURITY-2;{1-[1-{3-[2-(7-CHLORO-QUINOLIN-2-YL)-VINYL]-PHENYL}-3-(2-ISOPROPENYL-PHENYL)
SpectraBase Compound ID 8Hs3araoXVS
InChI InChI=1S/C35H34ClNO2S/c1-24(2)31-9-4-3-7-26(31)13-17-33(40-23-35(18-19-35)22-34(38)39)28-8-5-6-25(20-28)10-15-30-16-12-27-11-14-29(36)21-32(27)37-30/h3-12,14-16,20-21,33H,1,13,17-19,22-23H2,2H3,(H,38,39)/b15-10+/t33-/m0/s1
InChIKey LLGQICNFACCGPR-DNMUBJEDSA-N
Mol Weight 568.2 g/mol
Molecular Formula C35H34ClNO2S
Exact Mass 567.199878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGqJBdOe0pu
Name IMPURITY-2;{1-[1-{3-[2-(7-CHLORO-QUINOLIN-2-YL)-VINYL]-PHENYL}-3-(2-ISOPROPENYL-PHENYL)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H34ClNO2S
InChI InChI=1S/C35H34ClNO2S/c1-24(2)31-9-4-3-7-26(31)13-17-33(40-23-35(18-19-35)22-34(38)39)28-8-5-6-25(20-28)10-15-30-16-12-27-11-14-29(36)21-32(27)37-30/h3-12,14-16,20-21,33H,1,13,17-19,22-23H2,2H3,(H,38,39)/b15-10+/t33-/m0/s1
InChIKey LLGQICNFACCGPR-DNMUBJEDSA-N
Literature Reference Author M.SARAVANAN,K.S.KUMARI,P.P.REDDY,M.N.NAIDU,J.M.BABU,A.K.SRIV ASTAVA,T.L.KUMAR,B.V
Literature Reference Citation J.PHARM.BIOM.ANAL.,48,708(2008)
Literature Reference DOI 10.1016/j.jpba.2008.07.007
Molecular Weight 568.173 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44293