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Benzenepentanenitrile, .alpha.-methyl-.delta.-oxo-.alpha.-phenyl-
SpectraBase Compound ID 9gQI3H6xmr0
InChI InChI=1S/C18H17NO/c1-18(14-19,16-10-6-3-7-11-16)13-12-17(20)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKey PLLZWSSCUYGUNA-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqZWNN1JE7x
Name Benzenepentanenitrile, .alpha.-methyl-.delta.-oxo-.alpha.-phenyl-
CAS Registry Number 58422-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-18(14-19,16-10-6-3-7-11-16)13-12-17(20)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKey PLLZWSSCUYGUNA-UHFFFAOYSA-N
Molecular Weight 263.340 g/mol
SMILES C(#N)C(CCC(=O)c1ccccc1)(c1ccccc1)C
SPLASH splash10-0a4i-0900000000-625e8b6cacf6060c0b76
Source of Spectrum C-99-1540-0
Synonyms 1,5-Diphenyl-2-methyl-5-pentanonenitrile 2-Methyl-5-oxo-2,5-diphenylpentanenitrile
Wiley ID 1267168