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Ethyl anti-4-(4-chlorophenylamino)-1-(4-chlorophenyl)-2,6-bis(4-cyanophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
SpectraBase Compound ID 9ThDhdXvqNp
InChI InChI=1S/C34H26Cl2N4O2/c1-2-42-34(41)32-30(39-28-15-11-26(35)12-16-28)19-31(24-7-3-22(20-37)4-8-24)40(29-17-13-27(36)14-18-29)33(32)25-9-5-23(21-38)6-10-25/h3-18,31,33,39H,2,19H2,1H3/t31-,33+/m0/s1
InChIKey LOGZLJJYVSMNJS-CQTOTRCISA-N
Mol Weight 593.5 g/mol
Molecular Formula C34H26Cl2N4O2
Exact Mass 592.143281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2Gi6W2yRwS
Name Ethyl anti-4-(4-chlorophenylamino)-1-(4-chlorophenyl)-2,6-bis(4-cyanophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
Alternate Name(s) (2R,6S)-ethyl 1-(4-chlorophenyl)-4-((4-chlorophenyl)amino)-2,6-bis(4-cyanophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
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Formula C34H26Cl2N4O2
InChI InChI=1S/C34H26Cl2N4O2/c1-2-42-34(41)32-30(39-28-15-11-26(35)12-16-28)19-31(24-7-3-22(20-37)4-8-24)40(29-17-13-27(36)14-18-29)33(32)25-9-5-23(21-38)6-10-25/h3-18,31,33,39H,2,19H2,1H3/t31-,33+/m0/s1
InChIKey LOGZLJJYVSMNJS-CQTOTRCISA-N
Literature Reference DOI 10.3184/174751914X13890195583234
Molecular Weight 593.514 g/mol
SMILES N(C1=C([C@](N(c2ccc(cc2)Cl)[C@@](C1)(c1ccc(cc1)C#N)[H])(c1ccc(cc1)C#N)[H])C(OCC)=O)c1ccc(cc1)Cl
SPLASH splash10-0iml-4973000000-3478fce03a874fed89ec
Source of Spectrum JCR-38-79-4u
Wiley ID 1746384