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3-(2-Chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
SpectraBase Compound ID 1XuCYoBkdYV
InChI InChI=1S/C12H14ClN3S/c13-10-6-2-1-5-9(10)11-14-12(17)16-8-4-3-7-15(11)16/h1-2,5-6,11H,3-4,7-8H2,(H,14,17)
InChIKey ONQDNJZVYVBJKN-UHFFFAOYSA-N
Mol Weight 267.78 g/mol
Molecular Formula C12H14ClN3S
Exact Mass 267.059696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNbWZinstPI
Name 3-(2-Chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
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Formula C12H14ClN3S
InChI InChI=1S/C12H14ClN3S/c13-10-6-2-1-5-9(10)11-14-12(17)16-8-4-3-7-15(11)16/h1-2,5-6,11H,3-4,7-8H2,(H,14,17)
InChIKey ONQDNJZVYVBJKN-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.05.064
Molecular Weight 267.778 g/mol
SMILES N1C(N2N(C1c1ccccc1Cl)CCCC2)=S
SPLASH splash10-06a0-9150000000-bf2142a7c15a7811e646
Source of Spectrum G2-21-5527-2j
Synonyms 3-(2-Chlorophenyl)hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thione
Wiley ID 1754141