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2-(5-butyl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile
SpectraBase Compound ID EOXgWSpdley
InChI InChI=1S/C13H14N4/c1-2-3-8-12-15-13(17-16-12)11-7-5-4-6-10(11)9-14/h4-7H,2-3,8H2,1H3,(H,15,16,17)
InChIKey OGVLLKCZUVWCRS-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C13H14N4
Exact Mass 226.121846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vjaA5Emzek
Name 2-(5-butyl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4
InChI InChI=1S/C13H14N4/c1-2-3-8-12-15-13(17-16-12)11-7-5-4-6-10(11)9-14/h4-7H,2-3,8H2,1H3,(H,15,16,17)
InChIKey OGVLLKCZUVWCRS-UHFFFAOYSA-N
Molecular Weight 226.283 g/mol
SMILES [nH]1c(nnc1-c1c(C#N)cccc1)CCCC
SPLASH splash10-001i-0900000000-8dd9f54cdd8860da928f
Source of Spectrum J-60-1909-6
Synonyms 2-(5-butyl-1H-1,2,4-triazol-3-yl)benzonitrile
Wiley ID 1227520