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Acetic acid, 2-(3H-4,6-dinitro-3-oxo-1,2-benzisothiazol-2-yl)-, methyl ester
SpectraBase Compound ID B6ECKkRcfST
InChI InChI=1S/C10H7N3O7S/c1-20-8(14)4-11-10(15)9-6(13(18)19)2-5(12(16)17)3-7(9)21-11/h2-3H,4H2,1H3
InChIKey JOHWNCWOHRPLAC-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C10H7N3O7S
Exact Mass 313.000471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2utrvWZFoZo
Name Acetic acid, 2-(3H-4,6-dinitro-3-oxo-1,2-benzisothiazol-2-yl)-, methyl ester
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Formula C10H7N3O7S
InChI InChI=1S/C10H7N3O7S/c1-20-8(14)4-11-10(15)9-6(13(18)19)2-5(12(16)17)3-7(9)21-11/h2-3H,4H2,1H3
InChIKey JOHWNCWOHRPLAC-UHFFFAOYSA-N
Molecular Weight 313.240 g/mol
SMILES COC(CN1C(c2c(N(=O)=O)cc(N(=O)=O)cc2S1)=O)=O
SPLASH splash10-0ik9-9652000000-ca5fe169d803cf2ea5a9
Synonyms 2-(3-keto-4,6-dinitro-1,2-benzothiazol-2-yl)acetic acid methyl ester 2-(4,6-dinitro-3-oxo-1,2-benzothiazol-2-yl)acetic acid methyl ester Methyl (4,6-dinitro-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate Methyl 2-(4,6-dinitro-3-oxidanylidene-1,2-benzothiazol-2-yl)ethanoate Methyl 2-(4,6-dinitro-3-oxo-1,2-benzothiazol-2-yl)acetate
Wiley ID 1457473