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4-Allyl-5-(4-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 3JZrxUGGasa
InChI InChI=1S/C11H10FN3S/c1-2-7-15-10(13-14-11(15)16)8-3-5-9(12)6-4-8/h2-6H,1,7H2,(H,14,16)
InChIKey DMSRFFUUYVAHRE-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C11H10FN3S
Exact Mass 235.057947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DBMj0Vfe5x
Name 4-Allyl-5-(4-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol
Alternate Name(s) 3-(4-fluorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione 4-Allyl-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione 4-Allyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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Formula C11H10FN3S
InChI InChI=1S/C11H10FN3S/c1-2-7-15-10(13-14-11(15)16)8-3-5-9(12)6-4-8/h2-6H,1,7H2,(H,14,16)
InChIKey DMSRFFUUYVAHRE-UHFFFAOYSA-N
Molecular Weight 235.280 g/mol
SMILES Sc1[n](c(nn1)-c1ccc(cc1)F)CC=C
SPLASH splash10-00dr-5590000000-56aac2719ffea6756a66
Wiley ID 1463687