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3-Pyridinecarbothioic acid S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) ester

View entire compound with spectra: 1 MS (GC)

3-Pyridinecarbothioic acid S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) ester
SpectraBase Compound ID GK0JzRa7sVJ
InChI InChI=1S/C9H6N4O3S/c14-6-7(12-13-9(16)11-6)17-8(15)5-2-1-3-10-4-5/h1-4H,(H2,11,13,14,16)
InChIKey BLCZUANKPFSHNT-UHFFFAOYSA-N
Mol Weight 250.23 g/mol
Molecular Formula C9H6N4O3S
Exact Mass 250.016061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEdZnGKFQHk
Name 3-Pyridinecarbothioic acid S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) ester
Alternate Name(s) Pyridine-3-carbothioic acid S-(3,5-diketo-2H-1,2,4-triazin-6-yl) ester S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) pyridine-3-carbothioate
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Formula C9H6N4O3S
InChI InChI=1S/C9H6N4O3S/c14-6-7(12-13-9(16)11-6)17-8(15)5-2-1-3-10-4-5/h1-4H,(H2,11,13,14,16)
InChIKey BLCZUANKPFSHNT-UHFFFAOYSA-N
Molecular Weight 250.232 g/mol
SMILES N1C(NN=C(C1=O)SC(c1cnccc1)=O)=O
SPLASH splash10-0kor-9700000000-0679230c5d9ce75f8553
Wiley ID 1452283