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3-(3-Hydroxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
SpectraBase Compound ID ldzfoT7LNP
InChI InChI=1S/C12H15N3OS/c16-10-5-3-4-9(8-10)11-13-12(17)15-7-2-1-6-14(11)15/h3-5,8,11,16H,1-2,6-7H2,(H,13,17)
InChIKey VYGDDZMBHGHKBP-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C12H15N3OS
Exact Mass 249.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qSxNdtHGBW
Name 3-(3-Hydroxyphenyl)-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 C12H15N3OS
InChI InChI=1S/C12H15N3OS/c16-10-5-3-4-9(8-10)11-13-12(17)15-7-2-1-6-14(11)15/h3-5,8,11,16H,1-2,6-7H2,(H,13,17)
InChIKey VYGDDZMBHGHKBP-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.05.064
Molecular Weight 249.332 g/mol
SMILES N1C(N2N(C1c1cccc(c1)O)CCCC2)=S
SPLASH splash10-052r-9210000000-2a5af43a6ccb9f7dd882
Source of Spectrum G2-21-5528-2q
Synonyms 3-(3-hydroxyphenyl)hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thione
Wiley ID 1754145