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N-(2,4-dinitrophenyl)-5-phenyl-2H-1,2,3-triazo-4-ylurea

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

N-(2,4-dinitrophenyl)-5-phenyl-2H-1,2,3-triazo-4-ylurea
SpectraBase Compound ID 84hfol9PjVK
InChI InChI=1S/C15H11N7O5/c16-15(23)17-14-13(9-4-2-1-3-5-9)18-20(19-14)11-7-6-10(21(24)25)8-12(11)22(26)27/h1-8H,(H3,16,17,19,23)
InChIKey AAGDKUAMVMYDJI-UHFFFAOYSA-N
Mol Weight 369.3 g/mol
Molecular Formula C15H11N7O5
Exact Mass 369.082166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eYh3u8TKvQ
Name N-(2,4-Dinitrophenyl)-5-phenyl-2H-1,2,3-triazo-4-ylurea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.082166477 u
Formula C15H11N7O5
InChI InChI=1S/C15H11N7O5/c16-15(23)17-14-13(9-4-2-1-3-5-9)18-20(19-14)11-7-6-10(21(24)25)8-12(11)22(26)27/h1-8H,(H3,16,17,19,23)
InChIKey AAGDKUAMVMYDJI-UHFFFAOYSA-N
Molecular Weight 369.297 g/mol
SMILES C1(=NN(N=C1C1=CC=CC=C1)C=1C(N(=O)=O)=CC(N(=O)=O)=CC1)NC(=O)N