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4H-1,2,4-Triazole-3-thiol, 5-(2,5-difluorophenyl)-4-methyl-
SpectraBase Compound ID ACiKSqWUh3m
InChI InChI=1S/C9H7F2N3S/c1-14-8(12-13-9(14)15)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,13,15)
InChIKey IQTIADNJPUOUMO-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C9H7F2N3S
Exact Mass 227.032875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6jatbchp66
Name 4H-1,2,4-Triazole-3-thiol, 5-(2,5-difluorophenyl)-4-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7F2N3S
InChI InChI=1S/C9H7F2N3S/c1-14-8(12-13-9(14)15)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,13,15)
InChIKey IQTIADNJPUOUMO-UHFFFAOYSA-N
Molecular Weight 227.233 g/mol
SMILES Sc1nnc([n]1C)-c1c(ccc(c1)F)F
SPLASH splash10-0bt9-9310000000-0b301b69a1cdc069d57c
Source of Spectrum IY-2-4938-4
Synonyms 5-(2,5-difluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol 3-[2,5-bis(fluoranyl)phenyl]-4-methyl-1H-1,2,4-triazole-5-thione
Wiley ID 1657367