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Pyridine, 1,4-dihydro-1-(4-methylbenzoyl)-4-[[(4-methylphenyl)sulfonyl]phenylmethylene]-
SpectraBase Compound ID GAB5uKmEwhn
InChI InChI=1S/C27H23NO3S/c1-20-8-12-24(13-9-20)27(29)28-18-16-23(17-19-28)26(22-6-4-3-5-7-22)32(30,31)25-14-10-21(2)11-15-25/h3-19H,1-2H3
InChIKey PERLMDYDQLBKLF-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C27H23NO3S
Exact Mass 441.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Keh5x42giFh
Name Pyridine, 1,4-dihydro-1-(4-methylbenzoyl)-4-[[(4-methylphenyl)sulfonyl]phenylmethylene]-
Alternate Name(s) (1-(4-methylbenzoyl)-4(1H)-pyridinylidene)(phenyl)methyl 4-methylphenyl sulfone 1-(4-Methylbenzoyl)-4-[[(4-methylphenyl)sulfonyl](phenyl)methylene]-1,4-dihydropyridine
CAS Registry Number 95377-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NO3S
InChI InChI=1S/C27H23NO3S/c1-20-8-12-24(13-9-20)27(29)28-18-16-23(17-19-28)26(22-6-4-3-5-7-22)32(30,31)25-14-10-21(2)11-15-25/h3-19H,1-2H3
InChIKey PERLMDYDQLBKLF-UHFFFAOYSA-N
Molecular Weight 441.545 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(=C1C=CN(C=C1)C(c1ccc(cc1)C)=O)c1ccccc1
SPLASH splash10-014i-0900000000-03d74e72e07f6c38bff6
Source of Spectrum K-122-110-5
Wiley ID 1385110