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(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)acetonitrile
SpectraBase Compound ID 7B0CRZuQ8nJ
InChI InChI=1S/C11H10N4/c1-9-11(7-8-12)14-15(13-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKey QFAKSCQMWPGHGB-UHFFFAOYSA-N
Mol Weight 198.23 g/mol
Molecular Formula C11H10N4
Exact Mass 198.090546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RTdo2Q5TtF
Name (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)acetonitrile
Alternate Name(s) 2-(5-Methyl-2-phenyl-1,2,3-triazol-4-yl)ethanenitrile 2-(5-Methyl-2-phenyl-4-triazolyl)acetonitrile 2-(5-Methyl-2-phenyl-triazol-4-yl)acetonitrile 2-Phenyl-4-(cyanomethyl)-5-methyl-2H-1,2,3-triazole
CAS Registry Number 13322-20-8
Comments Edited after expert review for air contamination - Original record with SpectrumID 1195412 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N4
InChI InChI=1S/C11H10N4/c1-9-11(7-8-12)14-15(13-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKey QFAKSCQMWPGHGB-UHFFFAOYSA-N
Molecular Weight 198.229 g/mol
SMILES Cc1c(CC#N)n[n](-c2ccccc2)n1
SPLASH splash10-0007-9400000000-3104e16ca72a4ad61571
Source of Spectrum W5-1989-33131-32405
Wiley ID 1820874