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Acetic acid, 2-(3H-4,6-dinitro-3-oxo-1,2-benzisothiazol-2-yl)-1-oxide, methyl ester
SpectraBase Compound ID 2jgIkIamHiX
InChI InChI=1S/C10H7N3O8S/c1-21-8(14)4-11-10(15)9-6(13(18)19)2-5(12(16)17)3-7(9)22(11)20/h2-3H,4H2,1H3
InChIKey AAVNARWROLCHOP-UHFFFAOYSA-N
Mol Weight 329.24 g/mol
Molecular Formula C10H7N3O8S
Exact Mass 328.995385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MO1Oyz6WTf
Name Acetic acid, 2-(3H-4,6-dinitro-3-oxo-1,2-benzisothiazol-2-yl)-1-oxide, methyl ester
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Formula C10H7N3O8S
InChI InChI=1S/C10H7N3O8S/c1-21-8(14)4-11-10(15)9-6(13(18)19)2-5(12(16)17)3-7(9)22(11)20/h2-3H,4H2,1H3
InChIKey AAVNARWROLCHOP-UHFFFAOYSA-N
Molecular Weight 329.239 g/mol
SMILES c12S(N(C(c1c(cc(c2)N(=O)=O)N(=O)=O)=O)CC(=O)OC)=O
SPLASH splash10-006x-0971000000-1c55796c8fd8cf5e6eb2
Source of Spectrum SO-0-1663-5
Synonyms 2-(1,3-diketo-4,6-dinitro-1,2-benzothiazol-2-yl)acetic acid methyl ester 2-(4,6-dinitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetic acid methyl ester Methyl (4,6-dinitro-1-oxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate Methyl 2-(4,6-dinitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetate Methyl 2-[4,6-dinitro-1,3-bis(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate
Wiley ID 878627