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3-Cyanomethyl-5-(4'-methylphenyl)pyrazole
SpectraBase Compound ID 3kxMls6Hqwn
InChI InChI=1S/C12H11N3/c1-9-2-4-10(5-3-9)12-8-11(6-7-13)14-15-12/h2-5,8H,6H2,1H3,(H,14,15)
InChIKey STGYTXNBWMZKBA-UHFFFAOYSA-N
Mol Weight 197.24 g/mol
Molecular Formula C12H11N3
Exact Mass 197.095297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iVwaTj0mRl
Name 3-Cyanomethyl-5-(4'-methylphenyl)pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3
InChI InChI=1S/C12H11N3/c1-9-2-4-10(5-3-9)12-8-11(6-7-13)14-15-12/h2-5,8H,6H2,1H3,(H,14,15)
InChIKey STGYTXNBWMZKBA-UHFFFAOYSA-N
Molecular Weight 197.241 g/mol
SMILES [nH]1c(cc(n1)CC#N)-c1ccc(cc1)C
SPLASH splash10-0002-0900000000-4d574581e4124b74dd90
Source of Spectrum Y1-36-876-23
Synonyms [5-(4-methylphenyl)-1H-pyrazol-3-yl]acetonitrile 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]acetonitrile 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]ethanenitrile
Wiley ID 1527131