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1,3-Benzenediol, 2-nitro-, dimethanesulfonate (ester)
SpectraBase Compound ID 94hhytkwNxa
InChI InChI=1S/C8H9NO8S2/c1-18(12,13)16-6-4-3-5-7(8(6)9(10)11)17-19(2,14)15/h3-5H,1-2H3
InChIKey BPOOSELXYHGVEZ-UHFFFAOYSA-N
Mol Weight 311.28 g/mol
Molecular Formula C8H9NO8S2
Exact Mass 310.976959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzXyx1xlaIv
Name 1,3-Benzenediol, 2-nitro-, dimethanesulfonate (ester)
Alternate Name(s) 2-Nitro-1,3-phenylene dimethanesulfonate 2-Nitrobenzene-1,3-diyl dimethanesulfonate Methanesulfonic acid (3-methylsulfonyloxy-2-nitrophenyl) ester (3-methylsulfonyloxy-2-nitrophenyl) methanesulfonate (3-methylsulfonyloxy-2-nitro-phenyl) methanesulfonate
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Formula C8H9NO8S2
InChI InChI=1S/C8H9NO8S2/c1-18(12,13)16-6-4-3-5-7(8(6)9(10)11)17-19(2,14)15/h3-5H,1-2H3
InChIKey BPOOSELXYHGVEZ-UHFFFAOYSA-N
Molecular Weight 311.279 g/mol
SMILES CS(=O)(=O)Oc1cccc(OS(C)(=O)=O)c1[N+]([O-])=O
SPLASH splash10-002r-9610000000-5b3b19116d6ba1680100
Source of Spectrum JX-2015-2-1972
Wiley ID 1723577