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4H-1,2,4-Triazole-3-thiol, 4-methyl-5-[5-(1-pentynyl)-3-pyridyl]-
SpectraBase Compound ID 9UdjBxCCJMe
InChI InChI=1S/C14H16N4S/c1-3-4-5-6-7-11-8-12(10-15-9-11)13-16-17-14(19)18(13)2/h8-10H,3-5H2,1-2H3,(H,17,19)
InChIKey BKXAMVPNUZFLHF-UHFFFAOYSA-N
Mol Weight 272.37 g/mol
Molecular Formula C14H16N4S
Exact Mass 272.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CapRWlmJqCs
Name 4H-1,2,4-Triazole-3-thiol, 4-methyl-5-[5-(1-pentynyl)-3-pyridyl]-
Alternate Name(s) 3-(5-hex-1-ynyl-3-pyridinyl)-4-methyl-1H-1,2,4-triazole-5-thione 3-(5-hex-1-ynyl-3-pyridyl)-4-methyl-1H-1,2,4-triazole-5-thione 3-(5-hex-1-ynylpyridin-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione 5-[5-(1-Hexynyl)-3-pyridinyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
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Formula C14H16N4S
InChI InChI=1S/C14H16N4S/c1-3-4-5-6-7-11-8-12(10-15-9-11)13-16-17-14(19)18(13)2/h8-10H,3-5H2,1-2H3,(H,17,19)
InChIKey BKXAMVPNUZFLHF-UHFFFAOYSA-N
Molecular Weight 272.370 g/mol
SMILES Sc1[n](c(nn1)-c1cc(C#CCCCC)cnc1)C
SPLASH splash10-00di-5590000000-eff9c0d42727b31fd2b5
Source of Spectrum AD-0-2532-0
Wiley ID 1431457