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2,2-Di-m-tolylacetonitrile
SpectraBase Compound ID LlaI7QxsoSz
InChI InChI=1S/C16H15N/c1-12-5-3-7-14(9-12)16(11-17)15-8-4-6-13(2)10-15/h3-10,16H,1-2H3
InChIKey VLGBQBPLUMJUOG-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C16H15N
Exact Mass 221.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaMPFaWhhcT
Name 2,2-Di-m-tolylacetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N
InChI InChI=1S/C16H15N/c1-12-5-3-7-14(9-12)16(11-17)15-8-4-6-13(2)10-15/h3-10,16H,1-2H3
InChIKey VLGBQBPLUMJUOG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2009522
Molecular Weight 221.303 g/mol
SMILES c1c(cccc1C(c1cccc(c1)C)C#N)C
SPLASH splash10-05i0-0290000000-859116978cb7dcec48ad
Source of Spectrum A1-13-2912/SMS10-arb1
Synonyms 2,2-Bis(3-methylphenyl)acetonitrile 2,2-Bis(3-methylphenyl)ethanenitrile
Wiley ID 1753215