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2,8-Diaza-3,5,10-trithiatricyclo[5.4.1.0[4.12]]dodeca-1,4(12),6-trien-6-carboxylic acid, 9-oxo-, methyl ester
SpectraBase Compound ID J1JLiZT38y8
InChI InChI=1S/C10H8N2O3S3/c1-15-8(13)7-6-5-4(12-18-9(5)17-7)2-3-16-10(14)11-6/h2-3H2,1H3,(H,11,14)
InChIKey ALUNBFFSNVPZLC-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C10H8N2O3S3
Exact Mass 299.969706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqU3DEwy1YA
Name 2,8-Diaza-3,5,10-trithiatricyclo[5.4.1.0[4.12]]dodeca-1,4(12),6-trien-6-carboxylic acid, 9-oxo-, methyl ester
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Formula C10H8N2O3S3
InChI InChI=1S/C10H8N2O3S3/c1-15-8(13)7-6-5-4(12-18-9(5)17-7)2-3-16-10(14)11-6/h2-3H2,1H3,(H,11,14)
InChIKey ALUNBFFSNVPZLC-UHFFFAOYSA-N
Molecular Weight 300.365 g/mol
SMILES N1C(SCCc2nsc3sc(c1c23)C(=O)OC)=O
SPLASH splash10-000b-9440000000-02f21ee362bff8689ccc
Synonyms Methyl 10-oxo-4,6,11-trithia-3,9-diazatricyclo[6.5.0.0(1,5)]trideca-1(5),2,7-triene-7-carboxylate
Wiley ID 1454316