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4-(1,1-dimethylprop-2-ynyl)benzonitrile
SpectraBase Compound ID 2a2xVAhMWIa
InChI InChI=1S/C12H11N/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h1,5-8H,2-3H3
InChIKey AQHIYNDAMUGCQA-UHFFFAOYSA-N
Mol Weight 169.23 g/mol
Molecular Formula C12H11N
Exact Mass 169.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3naxKhX11tt
Name 4-(1,1-dimethylprop-2-ynyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N
InChI InChI=1S/C12H11N/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h1,5-8H,2-3H3
InChIKey AQHIYNDAMUGCQA-UHFFFAOYSA-N
Molecular Weight 169.227 g/mol
SMILES C#CC(C)(C)c1ccc(cc1)C#N
SPLASH splash10-0udi-0900000000-cbb9723680253fea0034
Source of Spectrum K-2001-58-13
Synonyms 4-(2-Methylbut-3-yn-2-yl)benzenecarbonitrile 4-(2-Methylbut-3-yn-2-yl)benzonitrile
Wiley ID 1580272