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2-(5-hexyl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile

View entire compound with spectra: 1 MS (GC)

2-(5-hexyl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile
SpectraBase Compound ID JOoJj9p5lEi
InChI InChI=1S/C15H18N4/c1-2-3-4-5-10-14-17-15(19-18-14)13-9-7-6-8-12(13)11-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)
InChIKey LUOMWCYYUWWXGC-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C15H18N4
Exact Mass 254.153147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXT2kyVSeod
Name 2-(5-hexyl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile
Alternate Name(s) 2-(5-hexyl-1H-1,2,4-triazol-3-yl)benzonitrile
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Formula C15H18N4
InChI InChI=1S/C15H18N4/c1-2-3-4-5-10-14-17-15(19-18-14)13-9-7-6-8-12(13)11-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)
InChIKey LUOMWCYYUWWXGC-UHFFFAOYSA-N
Molecular Weight 254.337 g/mol
SMILES [nH]1c(nnc1-c1c(C#N)cccc1)CCCCCC
SPLASH splash10-001i-0920000000-22b9edecb486e02a3eff
Source of Spectrum J-60-1909-6
Wiley ID 1257907