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4-nitro-2-(s-triazole-5-yl)-2H-1,2,3-triazole

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4-nitro-2-(s-triazole-5-yl)-2H-1,2,3-triazole
SpectraBase Compound ID 8G71Z6LM61d
InChI InChI=1S/C4H3N7O2/c12-11(13)3-1-7-10(9-3)4-5-2-6-8-4/h1-2H,(H,5,6,8)
InChIKey XOVBUHVHQOBXDP-UHFFFAOYSA-N
Mol Weight 181.11 g/mol
Molecular Formula C4H3N7O2
Exact Mass 181.034822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uS9eMwXWFB
Name 3-(4-NITRO-1,2,3-TRIAZOL-2-YL)-1,2,4-TRIAZOLE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H3N7O2
InChI InChI=1S/C4H3N7O2/c12-11(13)3-1-7-10(9-3)4-5-2-6-8-4/h1-2H,(H,5,6,8)
InChIKey XOVBUHVHQOBXDP-UHFFFAOYSA-N
Literature Reference Author H.H.LICHT,H.RITTER,H.R.BIRCHER,P.BIGLER
Literature Reference Citation MAGN.RES.CHEM.,36,343(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199805)36:5<343::aid-omr272>3.0.co;2-n
Molecular Weight 181.114 g/mol
Solvent DMSO-D6
Source File Reference UWCS24705