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5-(4-Chlorophenyl)-4,5-dihydro-5-hydroxy-2-phenyl-3H-pyrrole-3,3-dicarbonitrile
SpectraBase Compound ID IN19I7FVJEO
InChI InChI=1S/C18H12ClN3O/c19-15-8-6-14(7-9-15)18(23)10-17(11-20,12-21)16(22-18)13-4-2-1-3-5-13/h1-9,23H,10H2
InChIKey CDUVYCJDGJBZIP-UHFFFAOYSA-N
Mol Weight 321.77 g/mol
Molecular Formula C18H12ClN3O
Exact Mass 321.06689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkMpfFAO4sK
Name 5-(4-Chlorophenyl)-4,5-dihydro-5-hydroxy-2-phenyl-3H-pyrrole-3,3-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClN3O
InChI InChI=1S/C18H12ClN3O/c19-15-8-6-14(7-9-15)18(23)10-17(11-20,12-21)16(22-18)13-4-2-1-3-5-13/h1-9,23H,10H2
InChIKey CDUVYCJDGJBZIP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201500251
Molecular Weight 321.767 g/mol
SMILES OC1(CC(C(=N1)c1ccccc1)(C#N)C#N)c1ccc(cc1)Cl
SPLASH splash10-0570-4296000000-d6afbfa2c4d3c62a2c83
Source of Spectrum H-99-308-3c
Synonyms 5-(4-Chlorophenyl)-5-hydroxy-2-phenyl-4,5-dihydro-3H-pyrrole-3,3-dicarbonitrile
Wiley ID 1794942