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2-(3',5'-Dimethyl-4'-isoxazolyl)-3,5-diphenyl-5-oxopentanonitrile
SpectraBase Compound ID Iptoz35nM59
InChI InChI=1S/C22H20N2O2/c1-15-22(16(2)26-24-15)20(14-23)19(17-9-5-3-6-10-17)13-21(25)18-11-7-4-8-12-18/h3-12,19-20H,13H2,1-2H3
InChIKey SPKQTKUOPZCRCA-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C22H20N2O2
Exact Mass 344.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A63SlW54y11
Name 2-(3',5'-Dimethyl-4'-isoxazolyl)-3,5-diphenyl-5-oxopentanonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O2
InChI InChI=1S/C22H20N2O2/c1-15-22(16(2)26-24-15)20(14-23)19(17-9-5-3-6-10-17)13-21(25)18-11-7-4-8-12-18/h3-12,19-20H,13H2,1-2H3
InChIKey SPKQTKUOPZCRCA-UHFFFAOYSA-N
Molecular Weight 344.414 g/mol
SMILES c1(C(C(CC(=O)c2ccccc2)c2ccccc2)C#N)c(onc1C)C
SPLASH splash10-0a4i-3910000000-37d9c80e2c858d3bb824
Source of Spectrum Y4-83-192-47
Synonyms 2-(3',5'-Dimethyl-4'-oxazolyl)-3,5-diphenyl-5-oxopentanonitrile 2-(3,5-dimethyl-4-isoxazolyl)-5-oxo-3,5-diphenylpentanenitrile
Wiley ID 1550012