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3-(2-Methylphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
SpectraBase Compound ID 91vdjdAVNgW
InChI InChI=1S/C13H17N3S/c1-10-6-2-3-7-11(10)12-14-13(17)16-9-5-4-8-15(12)16/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,14,17)
InChIKey MDRSXWJOPJPTMI-UHFFFAOYSA-N
Mol Weight 247.36 g/mol
Molecular Formula C13H17N3S
Exact Mass 247.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAqkMUTeVKm
Name 3-(2-Methylphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3S
InChI InChI=1S/C13H17N3S/c1-10-6-2-3-7-11(10)12-14-13(17)16-9-5-4-8-15(12)16/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,14,17)
InChIKey MDRSXWJOPJPTMI-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.05.064
Molecular Weight 247.360 g/mol
SMILES N1C(N2N(C1c1ccccc1C)CCCC2)=S
SPLASH splash10-000b-9250000000-98ee5704bb7bdc16c0d8
Source of Spectrum G2-21-5526-2g
Synonyms 3-(o-tolyl)hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thione 1-(2-Methylphenyl)-1,2,5,6,7,8-hexahydro-[1,2,4]triazolo[1,2-a]pyridazine-3-thione
Wiley ID 1754138