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4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(4-fluorophenyl)-2-oxidanylidene-pyran-3-carbonitrile
SpectraBase Compound ID 9hmEisGmQ8M
InChI InChI=1S/C29H23ClFN3O2/c30-23-10-6-22(7-11-23)28(21-4-2-1-3-5-21)34-16-14-33(15-17-34)26-18-27(36-29(35)25(26)19-32)20-8-12-24(31)13-9-20/h1-13,18,28H,14-17H2
InChIKey ZZWCKLHUWKJGBT-UHFFFAOYSA-N
Mol Weight 499.97 g/mol
Molecular Formula C29H23ClFN3O2
Exact Mass 499.146283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ieoct5VQGFT
Name 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(4-fluorophenyl)-2-oxidanylidene-pyran-3-carbonitrile
Alternate Name(s) 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(4-fluorophenyl)-2-oxo-pyran-3-carbonitrile 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-6-(4-fluorophenyl)-2-keto-pyran-3-carbonitrile 4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-(4-fluorophenyl)-2-oxo-3-pyrancarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23ClFN3O2
InChI InChI=1S/C29H23ClFN3O2/c30-23-10-6-22(7-11-23)28(21-4-2-1-3-5-21)34-16-14-33(15-17-34)26-18-27(36-29(35)25(26)19-32)20-8-12-24(31)13-9-20/h1-13,18,28H,14-17H2
InChIKey ZZWCKLHUWKJGBT-UHFFFAOYSA-N
Molecular Weight 499.973 g/mol
SMILES C1(=C(C=C(OC1=O)c1ccc(cc1)F)N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)C#N
SPLASH splash10-0udj-0000790000-28c8e2ae93dbf2e711d5
Source of Spectrum K-2001-1957-5
Wiley ID 1579464