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4-(3-nitro-1,2,4-triazol-1-yl)butyric acid

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4-(3-nitro-1,2,4-triazol-1-yl)butyric acid
SpectraBase Compound ID IFCiAolWCBw
InChI InChI=1S/C6H8N4O4/c11-5(12)2-1-3-9-4-7-6(8-9)10(13)14/h4H,1-3H2,(H,11,12)
InChIKey VKHMLQUUROMVFW-UHFFFAOYSA-N
Mol Weight 200.15 g/mol
Molecular Formula C6H8N4O4
Exact Mass 200.054555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bk8FLXFjZaL
Name 4-(3-nitro-1,2,4-triazol-1-yl)butyric acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8N4O4
InChI InChI=1S/C6H8N4O4/c11-5(12)2-1-3-9-4-7-6(8-9)10(13)14/h4H,1-3H2,(H,11,12)
InChIKey VKHMLQUUROMVFW-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 200.154 g/mol
Source File Reference MHKO6288