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2-fluorobenzyl 1H-1,2,4-triazol-3-yl sulfide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-fluorobenzyl 1H-1,2,4-triazol-3-yl sulfide
SpectraBase Compound ID EEwTPjQvEvI
InChI InChI=1S/C9H8FN3S/c10-8-4-2-1-3-7(8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKey JSCJXOMZAPTHDW-UHFFFAOYSA-N
Mol Weight 209.24 g/mol
Molecular Formula C9H8FN3S
Exact Mass 209.042297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92ytVwzNfyF
Name 2-Fluorobenzyl 1H-1,2,4-triazol-3-yl sulfide
CAS Registry Number 312502-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8FN3S
InChI InChI=1S/C9H8FN3S/c10-8-4-2-1-3-7(8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKey JSCJXOMZAPTHDW-UHFFFAOYSA-N
Molecular Weight 209.242 g/mol
SMILES [nH]1nc(nc1)SCc1c(F)cccc1
SPLASH splash10-0a4i-3940000000-3926fa8aed9dc4a76449
Synonyms 3-(2-Fluoro-benzylsulfanyl)-1H-[1,2,4]triazole 5-[(2-fluorobenzyl)thio]-1H-1,2,4-triazole 5-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole 5-[(2-fluorophenyl)methylthio]-1H-1,2,4-triazole
Wiley ID 1458828