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4H-1,2,4-triazole, 3-hexyl-5-[(phenylmethyl)thio]-
SpectraBase Compound ID 8RSWdj83P7z
InChI InChI=1S/C15H21N3S/c1-2-3-4-8-11-14-16-15(18-17-14)19-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,16,17,18)
InChIKey KAXMPTIPUAXPIA-UHFFFAOYSA-N
Mol Weight 275.41 g/mol
Molecular Formula C15H21N3S
Exact Mass 275.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J68IaJXBwmA
Name 4H-1,2,4-triazole, 3-hexyl-5-[(phenylmethyl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N3S
InChI InChI=1S/C15H21N3S/c1-2-3-4-8-11-14-16-15(18-17-14)19-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,16,17,18)
InChIKey KAXMPTIPUAXPIA-UHFFFAOYSA-N
Molecular Weight 275.414 g/mol
SMILES [nH]1c(nnc1CCCCCC)SCc1ccccc1
SPLASH splash10-0006-9010000000-22b36152e9d68ddf426c
Source of Spectrum JX-2015-2-716
Synonyms 3-(benzylthio)-5-hexyl-4H-1,2,4-triazole 3-(benzylsulfanyl)-5-hexyl-4H-1,2,4-triazole 5-Hexyl-3-(phenylmethylthio)-1H-1,2,4-triazole 3-Benzylsulfanyl-5-hexyl-1H-1,2,4-triazole 5-Hexyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole
Wiley ID 1722417