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1-Propyl-5,6-dihydro-6-oxo-[1,2,4]triazolo[3,2-a]phthalazinium-2-thioate
SpectraBase Compound ID 8rufZjyHdmJ
InChI InChI=1S/C12H12N4OS/c1-2-7-15-11-9-6-4-3-5-8(9)10(17)13-16(11)14-12(15)18/h3-6H,2,7H2,1H3,(H-,13,14,17,18)
InChIKey WYSCLQBBEJJCHN-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C12H12N4OS
Exact Mass 260.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXD2ZlQke0L
Name 1-Propyl-5,6-dihydro-6-oxo-[1,2,4]triazolo[3,2-a]phthalazinium-2-thioate
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Formula C12H12N4OS
InChI InChI=1S/C12H12N4OS/c1-2-7-15-11-9-6-4-3-5-8(9)10(17)13-16(11)14-12(15)18/h3-6H,2,7H2,1H3,(H-,13,14,17,18)
InChIKey WYSCLQBBEJJCHN-UHFFFAOYSA-N
Molecular Weight 260.315 g/mol
SMILES N1C(c2ccccc2-c2[n](c(n[n+]12)[S-])CCC)=O
SPLASH splash10-03k9-1960000000-3f02d98331f28db88873
Source of Spectrum QB-14-518-7
Synonyms 1-Propyl-5,6-dihydro-6-oxo-[1,2,4]triazolo[3,2-a]phthalazinium-2-thiolate 6-Oxo-1-propyl-1H,5H,6H-[1,2,4]triazolo[3,2-a]phthalazin-4-ium-2-thiolate 6-Oxo-1-propyl-1H,5H,6H-[1,2,4]triazolo[3,2-a]phthalazin-4-ium-2-ylsulfide
Wiley ID 841309