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4,4-bis(oxidanylidene)-2-phenyl-1,5,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3-one
SpectraBase Compound ID DlMOVqROsrt
InChI InChI=1S/C12H12N2O3S/c15-12-11-10(7-4-8-18(11,16)17)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2
InChIKey ORHCQCNCRCYAFK-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoPq8C2n21t
Name 4,4-bis(oxidanylidene)-2-phenyl-1,5,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3-one
CAS Registry Number 124187-85-5
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c15-12-11-10(7-4-8-18(11,16)17)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2
InChIKey ORHCQCNCRCYAFK-UHFFFAOYSA-N
Molecular Weight 264.299 g/mol
SMILES N1N(C(C2=C1CCCS2(=O)=O)=O)c1ccccc1
SPLASH splash10-03di-0090000000-b607bfbf0853510ae3bd
Source of Spectrum Y-26-186-7
Synonyms 4,4-diketo-2-phenyl-1,5,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3-one 4,4-dioxo-2-phenyl-1,5,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3-one
Wiley ID 1267552