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a-(3-chloro-4-nitrophenyl)-a-phenoxy-a-phenylacetonitrile
SpectraBase Compound ID AkzhVUnyYVW
InChI InChI=1S/C20H13ClN2O3/c21-18-13-16(11-12-19(18)23(24)25)20(14-22,15-7-3-1-4-8-15)26-17-9-5-2-6-10-17/h1-13H
InChIKey ADCHTCWFWBWBIV-UHFFFAOYSA-N
Mol Weight 364.79 g/mol
Molecular Formula C20H13ClN2O3
Exact Mass 364.06147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jm8XIVIzEUa
Name a-(3-chloro-4-nitrophenyl)-a-phenoxy-a-phenylacetonitrile
Alternate Name(s) 2-(3-chloro-4-nitrophenyl)-2-phenoxy-2-phenylacetonitrile 2-(3-chloranyl-4-nitro-phenyl)-2-phenoxy-2-phenyl-ethanenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C20H13ClN2O3
InChI InChI=1S/C20H13ClN2O3/c21-18-13-16(11-12-19(18)23(24)25)20(14-22,15-7-3-1-4-8-15)26-17-9-5-2-6-10-17/h1-13H
InChIKey ADCHTCWFWBWBIV-UHFFFAOYSA-N
Molecular Weight 364.788 g/mol
SMILES c1(N(=O)=O)c(cc(C(C#N)(Oc2ccccc2)c2ccccc2)cc1)Cl
SPLASH splash10-03xr-0009000000-b39d4d5d2628d9e84f08
Source of Spectrum U1-2011-6891-2a
Wiley ID 1702906