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3-Pyridinol, 2-[(3-nitro-2-pyridinyl)thio]-, methanesulfonate (ester)
SpectraBase Compound ID LoGflgHeHZq
InChI InChI=1S/C11H9N3O5S2/c1-21(17,18)19-9-5-3-7-13-11(9)20-10-8(14(15)16)4-2-6-12-10/h2-7H,1H3
InChIKey NFBQSYRBJNZWDX-UHFFFAOYSA-N
Mol Weight 327.33 g/mol
Molecular Formula C11H9N3O5S2
Exact Mass 326.998363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7mYaVq0IVp
Name 3-Pyridinol, 2-[(3-nitro-2-pyridinyl)thio]-, methanesulfonate (ester)
Alternate Name(s) 2-((3-nitropyridin-2-yl)thio)pyridin-3-yl methanesulfonate 2-[(3-nitropyridin-2-yl)sulfanyl]pyridin-3-yl methanesulfonate Methanesulfonic acid [2-[(3-nitro-2-pyridinyl)thio]-3-pyridinyl] ester [2-[(3-nitro-2-pyridyl)sulfanyl]-3-pyridyl] methanesulfonate [2-(3-nitropyridin-2-yl)sulfanylpyridin-3-yl] methanesulfonate
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Formula C11H9N3O5S2
InChI InChI=1S/C11H9N3O5S2/c1-21(17,18)19-9-5-3-7-13-11(9)20-10-8(14(15)16)4-2-6-12-10/h2-7H,1H3
InChIKey NFBQSYRBJNZWDX-UHFFFAOYSA-N
Molecular Weight 327.329 g/mol
SMILES CS(=O)(=O)Oc1cccnc1Sc1ncccc1[N+]([O-])=O
SPLASH splash10-001r-7590000000-12c64dd81f32d3d60c61
Source of Spectrum JX-2015-3-458
Wiley ID 1724024