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1,2,4-4H-Triazole-3-thiol, 5-[5-(1-hexynyl)-2-furyl]-4-methyl-
SpectraBase Compound ID 8yOBlFeuOYY
InChI InChI=1S/C13H15N3OS/c1-3-4-5-6-7-10-8-9-11(17-10)12-14-15-13(18)16(12)2/h8-9H,3-5H2,1-2H3,(H,15,18)
InChIKey AQRCYWOSLLNHDD-UHFFFAOYSA-N
Mol Weight 261.34 g/mol
Molecular Formula C13H15N3OS
Exact Mass 261.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iPc7tRGXmu
Name 1,2,4-4H-Triazole-3-thiol, 5-[5-(1-hexynyl)-2-furyl]-4-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3OS
InChI InChI=1S/C13H15N3OS/c1-3-4-5-6-7-10-8-9-11(17-10)12-14-15-13(18)16(12)2/h8-9H,3-5H2,1-2H3,(H,15,18)
InChIKey AQRCYWOSLLNHDD-UHFFFAOYSA-N
Molecular Weight 261.343 g/mol
SMILES Sc1[n](c(nn1)-c1oc(C#CCCCC)cc1)C
SPLASH splash10-03di-9750000000-1555924d28f0e8f6403b
Source of Spectrum AD-0-2532-0
Synonyms 3-(5-hex-1-ynyl-2-furanyl)-4-methyl-1H-1,2,4-triazole-5-thione 3-(5-hex-1-ynyl-2-furyl)-4-methyl-1H-1,2,4-triazole-5-thione 3-(5-hex-1-ynylfuran-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione 5-[5-(1-Hexynyl)-2-furyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Wiley ID 1428281