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4-((4-tert-butyl)benzyl)benzonitrile
SpectraBase Compound ID GHqOiI19z3
InChI InChI=1S/C18H19N/c1-18(2,3)17-10-8-15(9-11-17)12-14-4-6-16(13-19)7-5-14/h4-11H,12H2,1-3H3
InChIKey OCFGUCWNAZTRQX-UHFFFAOYSA-N
Mol Weight 249.36 g/mol
Molecular Formula C18H19N
Exact Mass 249.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WEOwmSqLD8
Name 4-((4-tert-butyl)benzyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N
InChI InChI=1S/C18H19N/c1-18(2,3)17-10-8-15(9-11-17)12-14-4-6-16(13-19)7-5-14/h4-11H,12H2,1-3H3
InChIKey OCFGUCWNAZTRQX-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5CC10272C
Molecular Weight 249.357 g/mol
SMILES C(c1ccc(cc1)Cc1ccc(cc1)C(C)(C)C)#N
SPLASH splash10-001i-4290000000-c076d6dafd8687aa368c
Source of Spectrum KD-52-3171/SM7-4b
Synonyms 4-(4-(tert-butyl)benzyl)benzonitrile
Wiley ID 1803784