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3-(4-Hydroxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
SpectraBase Compound ID Cy0vT0JSRYG
InChI InChI=1S/C12H15N3OS/c16-10-5-3-9(4-6-10)11-13-12(17)15-8-2-1-7-14(11)15/h3-6,11,16H,1-2,7-8H2,(H,13,17)
InChIKey RSPVWJNAVTWKMR-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 5p9pNIuNRZB
Name 3-(4-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/c16-10-5-3-9(4-6-10)11-13-12(17)15-8-2-1-7-14(11)15/h3-6,11,16H,1-2,7-8H2,(H,13,17)
InChIKey RSPVWJNAVTWKMR-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.05.064
Molecular Weight 249.332 g/mol
SMILES N1C(N2N(C1c1ccc(cc1)O)CCCC2)=S
SPLASH splash10-000j-9230000000-bfb62777fb326e955680
Source of Spectrum G2-21-5528-2r
Synonyms 3-(4-hydroxyphenyl)hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thione
Wiley ID 1754146