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

View entire compound with spectra: 2 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iRopnG0S8
Name 4-(3-Nitro-1H-1,2,4-triazol-1-yl)butanoic acid
Alternate Name(s) 4-(3-nitro-1,2,4-triazol-1-yl)butanoic acid 4-(3-nitro-1,2,4-triazol-1-yl)butyric acid
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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
Molecular Weight 200.154 g/mol
SMILES OC(CCC[n]1nc(nc1)N(=O)=O)=O
SPLASH splash10-052o-9300000000-3420b7ee03c2cdb266f9
Wiley ID 1511924