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4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 MS (GC)

4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID FhjDeXv2dQZ
InChI InChI=1S/C11H12FN3S/c1-7(2)10-13-14-11(16)15(10)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,14,16)
InChIKey YPZMZNBGIJIDCW-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C11H12FN3S
Exact Mass 237.073597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsEM2gZwLaN
Name 4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12FN3S
InChI InChI=1S/C11H12FN3S/c1-7(2)10-13-14-11(16)15(10)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,14,16)
InChIKey YPZMZNBGIJIDCW-UHFFFAOYSA-N
Molecular Weight 237.296 g/mol
SMILES Sc1[n](c(nn1)C(C)C)-c1ccc(cc1)F
SPLASH splash10-000i-9680000000-4e0317fb66516826b420
Source of Spectrum IY-2-4941-6
Synonyms 4H-1,2,4-Triazole-3-thiol, 4-(4-fluorophenyl)-5-(1-methylethyl)- 4-(4-fluorophenyl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
Wiley ID 1657399