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N-(4-Iodophenyl)-4-(3-methylbenzamido)benzamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N-(4-Iodophenyl)-4-(3-methylbenzamido)benzamide
SpectraBase Compound ID CuVXBf5xtAG
InChI InChI=1S/C21H17IN2O2/c1-14-4-2-5-15(12-14)20(25)24-19-7-3-6-16(13-19)21(26)23-18-10-8-17(22)9-11-18/h2-13H,1H3,(H,23,26)(H,24,25)
InChIKey IVDXVVNBQNKVQM-UHFFFAOYSA-N
Mol Weight 456.28 g/mol
Molecular Formula C21H17IN2O2
Exact Mass 456.033473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ChiUo7PZaa
Name N-(4-Iodophenyl)-4-(3-methylbenzamido)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 456.033472793 u
Formula C21H17IN2O2
InChI InChI=1S/C21H17IN2O2/c1-14-4-2-5-15(12-14)20(25)24-19-7-3-6-16(13-19)21(26)23-18-10-8-17(22)9-11-18/h2-13H,1H3,(H,23,26)(H,24,25)
InChIKey IVDXVVNBQNKVQM-UHFFFAOYSA-N
Molecular Weight 456.283 g/mol
SMILES N(C(c1cccc(c1)NC(=O)c1cc(ccc1)C)=O)c1ccc(cc1)I