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6-(4-chlorophenyl)-2-keto-4-(4-phenylpiperazino)pyran-3-carbonitrile
SpectraBase Compound ID ACSC5QriO0L
InChI InChI=1S/C22H18ClN3O2/c23-17-8-6-16(7-9-17)21-14-20(19(15-24)22(27)28-21)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-9,14H,10-13H2
InChIKey AGLLRODWDOEJKT-UHFFFAOYSA-N
Mol Weight 391.86 g/mol
Molecular Formula C22H18ClN3O2
Exact Mass 391.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFJBycEIWDF
Name 6-(4-chlorophenyl)-2-keto-4-(4-phenylpiperazino)pyran-3-carbonitrile
Alternate Name(s) 6-(4-chlorophenyl)-2-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile 6-(4-chlorophenyl)-2-oxo-4-(4-phenyl-1-piperazinyl)-3-pyrancarbonitrile 6-(4-chlorophenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C22H18ClN3O2
InChI InChI=1S/C22H18ClN3O2/c23-17-8-6-16(7-9-17)21-14-20(19(15-24)22(27)28-21)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-9,14H,10-13H2
InChIKey AGLLRODWDOEJKT-UHFFFAOYSA-N
Molecular Weight 391.858 g/mol
SMILES C1(=C(C=C(OC1=O)c1ccc(cc1)Cl)N1CCN(CC1)c1ccccc1)C#N
SPLASH splash10-0006-0009000000-68b3077ce8a171b7a5e3
Source of Spectrum K-2001-1957-5
Wiley ID 1579461