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3-(4-Chlorophenyl)-1-(2,4-dinitrophenyl)-5-ethyl-1,2,4-triazole

View entire compound with spectra: 1 NMR

3-(4-Chlorophenyl)-1-(2,4-dinitrophenyl)-5-ethyl-1,2,4-triazole
SpectraBase Compound ID 25pOCCEfk9M
InChI InChI=1S/C16H12ClN5O4/c1-2-15-18-16(10-3-5-11(17)6-4-10)19-20(15)13-8-7-12(21(23)24)9-14(13)22(25)26/h3-9H,2H2,1H3
InChIKey JAGMDLGXAYRHST-UHFFFAOYSA-N
Mol Weight 373.76 g/mol
Molecular Formula C16H12ClN5O4
Exact Mass 373.057782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AC3tSaDTqoV
Name 3-(4-Chlorophenyl)-1-(2,4-dinitrophenyl)-5-ethyl-1,2,4-triazole
Comments Computed using HOSE algorithm
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Exact Mass 373.057781582 u
Formula C16H12ClN5O4
InChI InChI=1S/C16H12ClN5O4/c1-2-15-18-16(10-3-5-11(17)6-4-10)19-20(15)13-8-7-12(21(23)24)9-14(13)22(25)26/h3-9H,2H2,1H3
InChIKey JAGMDLGXAYRHST-UHFFFAOYSA-N
Molecular Weight 373.756 g/mol
SMILES C1(=NN(C2=CC=C(C=C2N(=O)=O)N(=O)=O)C(=N1)CC)C1=CC=C(C=C1)Cl