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2-(2,4,6-triisopropylphenyl)acetonitrile
SpectraBase Compound ID 7wkllPSxRlz
InChI InChI=1S/C17H25N/c1-11(2)14-9-16(12(3)4)15(7-8-18)17(10-14)13(5)6/h9-13H,7H2,1-6H3
InChIKey ALLQKKCOEMPXDO-UHFFFAOYSA-N
Mol Weight 243.39 g/mol
Molecular Formula C17H25N
Exact Mass 243.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JWLYWPgXql
Name 2-(2,4,6-triisopropylphenyl)acetonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N
InChI InChI=1S/C17H25N/c1-11(2)14-9-16(12(3)4)15(7-8-18)17(10-14)13(5)6/h9-13H,7H2,1-6H3
InChIKey ALLQKKCOEMPXDO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202216160
Molecular Weight 243.394 g/mol
Quality 91
SMILES C(C)(C)C1=CC(=CC(=C1CC#N)C(C)C)C(C)C
SPLASH splash10-0fb9-0190000000-24bab6da06d3fa3ce8be
Source of Spectrum ACI-62-SM53-27 (DOI: 10.1002/anie.202216160)
Thin-Layer Chromatography 0.31 (Cy/EtOAc, 4:1)
Wiley ID 1908413