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3-Nitro-1,2,4-triazole
SpectraBase Compound ID 55a5HsQUe2R
InChI InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)
InChIKey KUEFXPHXHHANKS-UHFFFAOYSA-N
Mol Weight 114.06 g/mol
Molecular Formula C2H2N4O2
Exact Mass 114.017775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bSiTStBWhc
Name 1H-1,2,4-Triazole, 3-nitro-
Alternate Name(s) 3-Nitro-1,2,4-triazole 3-Nitro-1H-1,2,4-triazole 3-Nitro-4H-[1,2,4]triazole 5-Nitro-1H-1,2,4-triazole s-Triazole, 3-nitro- EINECS 246-468-1
CAS Registry Number 24807-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C2H2N4O2
InChI InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)
InChIKey KUEFXPHXHHANKS-UHFFFAOYSA-N
Molecular Weight 114.064 g/mol
SMILES [nH]1ncnc1N(=O)=O
SPLASH splash10-001i-9100000000-04e364256ca940a00dae
Source of Spectrum O1-35-1818-3
Wiley ID 819666