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6-(3,5-Dimethylpyrazol-1-yl)-N-(5-nitro-4H-1,2,4-triazol-3-yl)-1,2,4,5-tetrazin-3-amine

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6-(3,5-Dimethylpyrazol-1-yl)-N-(5-nitro-4H-1,2,4-triazol-3-yl)-1,2,4,5-tetrazin-3-amine
SpectraBase Compound ID 1WfwYF93OKS
InChI InChI=1S/C9H9N11O2/c1-4-3-5(2)19(18-4)9-16-13-7(14-17-9)10-6-11-8(15-12-6)20(21)22/h3H,1-2H3,(H2,10,11,12,13,14,15)
InChIKey MTHXNETUPJEKGW-UHFFFAOYSA-N
Mol Weight 303.25 g/mol
Molecular Formula C9H9N11O2
Exact Mass 303.094069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wNQwmsmW5C
Name 6-(3,5-Dimethylpyrazol-1-yl)-N-(5-nitro-4H-1,2,4-triazol-3-yl)-1,2,4,5-tetrazin-3-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.094068572 u
Formula C9H9N11O2
InChI InChI=1S/C9H9N11O2/c1-4-3-5(2)19(18-4)9-16-13-7(14-17-9)10-6-11-8(15-12-6)20(21)22/h3H,1-2H3,(H2,10,11,12,13,14,15)
InChIKey MTHXNETUPJEKGW-UHFFFAOYSA-N
Molecular Weight 303.246 g/mol
SMILES CC=1C=C(C)N(N1)C1=NN=C(N=N1)NC=1NC(=NN1)N(=O)=O