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6-(2,4-Dichlorophenyl)-3-cyano-4-(N-phenylpiperazino)-2H-pyran-2-one
SpectraBase Compound ID BFDq0w0zmhQ
InChI InChI=1S/C22H17Cl2N3O2/c23-15-6-7-17(19(24)12-15)21-13-20(18(14-25)22(28)29-21)27-10-8-26(9-11-27)16-4-2-1-3-5-16/h1-7,12-13H,8-11H2
InChIKey VCHGAINWPVSRJH-UHFFFAOYSA-N
Mol Weight 426.3 g/mol
Molecular Formula C22H17Cl2N3O2
Exact Mass 425.069782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5i0Su5BqX9e
Name 6-(2,4-Dichlorophenyl)-3-cyano-4-(N-phenylpiperazino)-2H-pyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C22H17Cl2N3O2
InChI InChI=1S/C22H17Cl2N3O2/c23-15-6-7-17(19(24)12-15)21-13-20(18(14-25)22(28)29-21)27-10-8-26(9-11-27)16-4-2-1-3-5-16/h1-7,12-13H,8-11H2
InChIKey VCHGAINWPVSRJH-UHFFFAOYSA-N
Molecular Weight 426.303 g/mol
SMILES C1(=C(C=C(OC1=O)c1c(cc(cc1)Cl)Cl)N1CCN(CC1)c1ccccc1)C#N
SPLASH splash10-004i-0000900000-a37058af61fa9ae24e65
Source of Spectrum K-2001-1957-5
Synonyms 6-(2,4-dichlorophenyl)-2-oxo-4-(4-phenyl-1-piperazinyl)-2H-pyran-3-carbonitrile 6-(2,4-dichlorophenyl)-2-oxo-4-(4-phenyl-1-piperazinyl)-3-pyrancarbonitrile 6-(2,4-dichlorophenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile 6-(2,4-dichlorophenyl)-2-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile
Wiley ID 1579455