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[2-(7-dioxidoazaniumylidene-5-nitro-3-oxido-4H-benzofurazan-3-ium-4-yl)-3-thienyl]-methyl-ammonium
SpectraBase Compound ID 99uavlE72Zj
InChI InChI=1S/C11H8N5O6S/c1-12-5-2-3-23-11(5)8-6(14(17)18)4-7(15(19)20)9-10(8)16(21)22-13-9/h2-4,8,12H,1H3/q-1/p+1
InChIKey PZAVRTZEKSHQOF-UHFFFAOYSA-O
Mol Weight 339.28 g/mol
Molecular Formula C11H9N5O6S
Exact Mass 339.027354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcZYNTACUnO
Name [2-(7-dioxidoazaniumylidene-5-nitro-3-oxido-4H-benzofurazan-3-ium-4-yl)-3-thienyl]-methyl-ammonium
Compound Number 6BH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9N5O6S
InChI InChI=1S/C11H8N5O6S/c1-12-5-2-3-23-11(5)8-6(14(17)18)4-7(15(19)20)9-10(8)16(21)22-13-9/h2-4,8,12H,1H3/q-1/p+1
InChIKey PZAVRTZEKSHQOF-UHFFFAOYSA-O
Literature Reference Author F.TERRIER,M.J.POUET,K.GZOULI,J.C.HALLE,F.OUTURQUIN,C.PAULMIE R
Literature Reference Citation CAN.J.CHEM.,76,937(1998)
Literature Reference DOI 10.1139/cjc-76-6-937
Molecular Weight 339.282 g/mol
Solvent DMSO-D6
Source File Reference UWCP8607