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1H-1,2,4-Triazole, 3-[[(4-chlorophenyl)methyl]thio]-1-(1-methylethenyl)-
SpectraBase Compound ID D2UIC4XJyCN
InChI InChI=1S/C12H12ClN3S/c1-9(2)16-8-14-12(15-16)17-7-10-3-5-11(13)6-4-10/h3-6,8H,1,7H2,2H3
InChIKey AUCATPYXRMHDNP-UHFFFAOYSA-N
Mol Weight 265.76 g/mol
Molecular Formula C12H12ClN3S
Exact Mass 265.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPQ9Kgkoi4T
Name 1H-1,2,4-Triazole, 3-[[(4-chlorophenyl)methyl]thio]-1-(1-methylethenyl)-
CAS Registry Number 112390-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3S
InChI InChI=1S/C12H12ClN3S/c1-9(2)16-8-14-12(15-16)17-7-10-3-5-11(13)6-4-10/h3-6,8H,1,7H2,2H3
InChIKey AUCATPYXRMHDNP-UHFFFAOYSA-N
Molecular Weight 265.762 g/mol
SMILES c1(nc[n](n1)C(=C)C)SCc1ccc(cc1)Cl
SPLASH splash10-00or-0970000000-0a259eb7295bca398325
Source of Spectrum KC-1987-1570-6
Synonyms 3-[(4-chlorobenzyl)sulfanyl]-1-isopropenyl-1H-1,2,4-triazole 4-Chlorobenzyl 1-isopropenyl-1H-1,2,4-triazol-3-yl sulfide
Wiley ID 1268778