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N-[(5-Bromo1H-indol-3-yl)(phenyl)methyl]benzamide

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

N-[(5-Bromo1H-indol-3-yl)(phenyl)methyl]benzamide
SpectraBase Compound ID HSONe38vOrk
InChI InChI=1S/C22H17BrN2O/c23-17-11-12-20-18(13-17)19(14-24-20)21(15-7-3-1-4-8-15)25-22(26)16-9-5-2-6-10-16/h1-14,21,24H,(H,25,26)
InChIKey XQCBZJJKQOKOCU-UHFFFAOYSA-N
Mol Weight 405.3 g/mol
Molecular Formula C22H17BrN2O
Exact Mass 404.052426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJmvJKvLd2U
Name N-[(5-Bromo1H-indol-3-yl)(phenyl)methyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 404.052426174 u
Formula C22H17BrN2O
InChI InChI=1S/C22H17BrN2O/c23-17-11-12-20-18(13-17)19(14-24-20)21(15-7-3-1-4-8-15)25-22(26)16-9-5-2-6-10-16/h1-14,21,24H,(H,25,26)
InChIKey XQCBZJJKQOKOCU-UHFFFAOYSA-N
Molecular Weight 405.295 g/mol
SMILES C=1(C2=C(C=CC(=C2)Br)NC1)C(NC(=O)C=1C=CC=CC1)C=1C=CC=CC1