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3-(4-Chlorophenyl)-4-(4-cyanophenyl)-5-hydroxy-benzoic acid ethyl ester
SpectraBase Compound ID CGwDanDFdPQ
InChI InChI=1S/C22H16ClNO3/c1-2-27-22(26)17-11-19(15-7-9-18(23)10-8-15)21(20(25)12-17)16-5-3-14(13-24)4-6-16/h3-12,25H,2H2,1H3
InChIKey BYTIPBTZEMYHQU-UHFFFAOYSA-N
Mol Weight 377.83 g/mol
Molecular Formula C22H16ClNO3
Exact Mass 377.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dMj9ej5Knb
Name 3-(4-Chlorophenyl)-4-(4-cyanophenyl)-5-hydroxy-benzoic acid ethyl ester
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Formula C22H16ClNO3
InChI InChI=1S/C22H16ClNO3/c1-2-27-22(26)17-11-19(15-7-9-18(23)10-8-15)21(20(25)12-17)16-5-3-14(13-24)4-6-16/h3-12,25H,2H2,1H3
InChIKey BYTIPBTZEMYHQU-UHFFFAOYSA-N
Molecular Weight 377.827 g/mol
SMILES Oc1c(c(cc(C(=O)OCC)c1)-c1ccc(cc1)Cl)-c1ccc(C#N)cc1
SPLASH splash10-004j-0059000000-61d1c850e97b18c1f512
Source of Spectrum KC-0-904-6
Synonyms Ethyl 3-(4-chlorophenyl)-4-(4-cyanophenyl)-5-hydroxy-benzoate Ethyl 3-(4-chlorophenyl)-4-(4-cyanophenyl)-5-oxidanyl-benzoate 3-(4-Chlorophenyl)-4-(4-cyanophenyl)-5-hydroxybenzoic acid ethyl ester
Wiley ID 824610