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(Z)-1-{4-[(E)-3-Oxo-1-phenyl-3-(pyridin-2-yl)prop-1-en-1-yl]pyridin-2-yl}-3-phenyl-3-(phenylamino)prop-2-en-1-one
SpectraBase Compound ID 6ZEhQ97me0s
InChI InChI=1S/C34H25N3O2/c38-33(30-18-10-11-20-35-30)23-29(25-12-4-1-5-13-25)27-19-21-36-32(22-27)34(39)24-31(26-14-6-2-7-15-26)37-28-16-8-3-9-17-28/h1-24,37H/b29-23+,31-24-
InChIKey PSXRMFNMIQTNAX-SBCZIUHDSA-N
Mol Weight 507.6 g/mol
Molecular Formula C34H25N3O2
Exact Mass 507.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7elSrORksak
Name (Z)-1-{4-[(E)-3-Oxo-1-phenyl-3-(pyridin-2-yl)prop-1-en-1-yl]pyridin-2-yl}-3-phenyl-3-(phenylamino)prop-2-en-1-one
Appearance Yellow solid
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Formula C34H25N3O2
InChI InChI=1S/C34H25N3O2/c38-33(30-18-10-11-20-35-30)23-29(25-12-4-1-5-13-25)27-19-21-36-32(22-27)34(39)24-31(26-14-6-2-7-15-26)37-28-16-8-3-9-17-28/h1-24,37H/b29-23+,31-24-
InChIKey PSXRMFNMIQTNAX-SBCZIUHDSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900837
Molecular Weight 507.593 g/mol
Reported Formula C34H25N3O2
SMILES N(c1ccccc1)\C(=C/C(=O)c1cc(ccn1)\C(=C\C(c1ccccn1)=O)c1ccccc1)c1ccccc1
SPLASH splash10-0006-9360300000-2514bc00e4ad88d51108
Sample Comments rotamer ratio = 2:1
Source of Spectrum ASC-361-SM14-3ha
Thin-Layer Chromatography Rf = 0.56 (hexane/EtOAc, 6:4)
Wiley ID 1838073