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6-(4-chlorophenyl)-4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-pyran-3-carbonitrile
SpectraBase Compound ID 22c1ChAJZbd
InChI InChI=1S/C29H23Cl2N3O2/c30-23-10-6-20(7-11-23)27-18-26(25(19-32)29(35)36-27)33-14-16-34(17-15-33)28(21-4-2-1-3-5-21)22-8-12-24(31)13-9-22/h1-13,18,28H,14-17H2
InChIKey AXXRQXQOEYFXES-UHFFFAOYSA-N
Mol Weight 516.43 g/mol
Molecular Formula C29H23Cl2N3O2
Exact Mass 515.116732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8juE6sUDyWS
Name 6-(4-chlorophenyl)-4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-pyran-3-carbonitrile
Alternate Name(s) 6-(4-chlorophenyl)-4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxo-pyran-3-carbonitrile 6-(4-chlorophenyl)-4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-2-keto-pyran-3-carbonitrile 6-(4-chlorophenyl)-4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-2-oxo-3-pyrancarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23Cl2N3O2
InChI InChI=1S/C29H23Cl2N3O2/c30-23-10-6-20(7-11-23)27-18-26(25(19-32)29(35)36-27)33-14-16-34(17-15-33)28(21-4-2-1-3-5-21)22-8-12-24(31)13-9-22/h1-13,18,28H,14-17H2
InChIKey AXXRQXQOEYFXES-UHFFFAOYSA-N
Molecular Weight 516.428 g/mol
SMILES C1(=C(C=C(OC1=O)c1ccc(cc1)Cl)N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)C#N
SPLASH splash10-014i-0000490000-c9118e6ae671a43cbc13
Source of Spectrum K-2001-1957-5
Wiley ID 1579457