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[2-(7-dioxidoazaniumylidene-5-nitro-3-oxido-4H-benzofurazan-3-ium-4-yl)-3-thienyl]-dimethyl-ammonium
SpectraBase Compound ID DUy2jgjdAHR
InChI InChI=1S/C12H10N5O6S/c1-14(2)6-3-4-24-12(6)9-7(15(18)19)5-8(16(20)21)10-11(9)17(22)23-13-10/h3-5,9H,1-2H3/q-1/p+1
InChIKey WBEXYDLYZGCKAO-UHFFFAOYSA-O
Mol Weight 353.31 g/mol
Molecular Formula C12H11N5O6S
Exact Mass 353.043004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lukQdanarl
Name [2-(7-dioxidoazaniumylidene-5-nitro-3-oxido-4H-benzofurazan-3-ium-4-yl)-3-thienyl]-dimethyl-ammonium
Compound Number 6CH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N5O6S
InChI InChI=1S/C12H10N5O6S/c1-14(2)6-3-4-24-12(6)9-7(15(18)19)5-8(16(20)21)10-11(9)17(22)23-13-10/h3-5,9H,1-2H3/q-1/p+1
InChIKey WBEXYDLYZGCKAO-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 353.309 g/mol
Solvent DMSO-D6
Source File Reference UWCP8610