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2-benzyl-2-methyl-3-oxo-3-phenylpropanenitrile
SpectraBase Compound ID DX1Gbg3F1kK
InChI InChI=1S/C17H15NO/c1-17(13-18,12-14-8-4-2-5-9-14)16(19)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKey IXMBHXWMCBWBMU-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Mb75d7UHl6
Name 2-benzyl-2-methyl-3-oxo-3-phenylpropanenitrile
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO
InChI InChI=1S/C17H15NO/c1-17(13-18,12-14-8-4-2-5-9-14)16(19)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKey IXMBHXWMCBWBMU-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201605445
Molecular Weight 249.313 g/mol
Quality 104
Reported Formula C17H15NO
SMILES C1(=CC=CC=C1)C(=O)C(CC1=CC=CC=C1)(C)C#N
SPLASH splash10-0a4i-6900000000-662b75c919717c1e883a
Source of Spectrum ACI-55-SM24-2y (DOI: 10.1002/anie.201605445)
Wiley ID 1899118