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2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID I9KgWm8BP3i
InChI InChI=1S/C11H6N4O4S/c1-5-12-13-11(20-5)14-9(16)7-3-2-6(15(18)19)4-8(7)10(14)17/h2-4H,1H3
InChIKey CKKMUHNCERUBPK-UHFFFAOYSA-N
Mol Weight 290.25 g/mol
Molecular Formula C11H6N4O4S
Exact Mass 290.010976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gLW6C3j2GL
Name 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
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Formula C11H6N4O4S
InChI InChI=1S/C11H6N4O4S/c1-5-12-13-11(20-5)14-9(16)7-3-2-6(15(18)19)4-8(7)10(14)17/h2-4H,1H3
InChIKey CKKMUHNCERUBPK-UHFFFAOYSA-N
Molecular Weight 290.253 g/mol
SMILES Cc1sc(N2C(c3cc(N(=O)=O)ccc3C2=O)=O)nn1
SPLASH splash10-0f6y-6590000000-e5e11a9d5acb7e802e85
Synonyms 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-nitro-isoindole-1,3-dione 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-nitro-isoindoline-1,3-dione 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-nitro-isoindoline-1,3-quinone
Wiley ID 1451311