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4,5-di-(Phenylaminocarbonyl)-imidazole
SpectraBase Compound ID 5jEof6GzXnI
InChI InChI=1S/C17H14N4O2/c22-16(20-12-7-3-1-4-8-12)14-15(19-11-18-14)17(23)21-13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,22)(H,21,23)
InChIKey QQBRBEISYWUGNA-UHFFFAOYSA-N
Mol Weight 306.33 g/mol
Molecular Formula C17H14N4O2
Exact Mass 306.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2KLqMnaEAi
Name 4,5-di-(Phenylaminocarbonyl)-imidazole
Comments Computed using HOSE algorithm
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Exact Mass 306.111675705 u
Formula C17H14N4O2
InChI InChI=1S/C17H14N4O2/c22-16(20-12-7-3-1-4-8-12)14-15(19-11-18-14)17(23)21-13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,22)(H,21,23)
InChIKey QQBRBEISYWUGNA-UHFFFAOYSA-N
Molecular Weight 306.325 g/mol
SMILES C1(=C(C(NC2=CC=CC=C2)=O)NC=N1)C(NC1=CC=CC=C1)=O