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1-Benzyl-4-octyl-1H-1,2,3-triazole

View entire compound with spectra: 2 MS (GC)

1-Benzyl-4-octyl-1H-1,2,3-triazole
SpectraBase Compound ID KOuE82RdmMr
InChI InChI=1S/C17H25N3/c1-2-3-4-5-6-10-13-17-15-20(19-18-17)14-16-11-8-7-9-12-16/h7-9,11-12,15H,2-6,10,13-14H2,1H3
InChIKey VSBVRLUYVFEDJE-UHFFFAOYSA-N
Mol Weight 271.41 g/mol
Molecular Formula C17H25N3
Exact Mass 271.204848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GssJQu1853o
Name 1-Benzyl-4-octyl-1H-1,2,3-triazole
Alternate Name(s) 4-Octyl-1-(phenylmethyl)triazole 1-Benzyl-4-octyltriazole 4-Octyl-1-(phenylmethyl)-1,2,3-triazole
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Formula C17H25N3
InChI InChI=1S/C17H25N3/c1-2-3-4-5-6-10-13-17-15-20(19-18-17)14-16-11-8-7-9-12-16/h7-9,11-12,15H,2-6,10,13-14H2,1H3
InChIKey VSBVRLUYVFEDJE-UHFFFAOYSA-N
Literature Reference DOI 10.1080/00397911.2013.850511
Molecular Weight 271.408 g/mol
SMILES c1(CCCCCCCC)nn[n](c1)Cc1ccccc1
SPLASH splash10-0006-9100000000-046ac6ca62776df25de5
Source of Spectrum B1-44-1251/SM3-3d
Wiley ID 1747957