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N-(4-bromo-3-methylphenyl)-9H-xanthene-9-carboxamide

View entire compound with spectra: 2 NMR

N-(4-bromo-3-methylphenyl)-9H-xanthene-9-carboxamide
SpectraBase Compound ID FPUDfWZ1Ku6
InChI InChI=1S/C21H16BrNO2/c1-13-12-14(10-11-17(13)22)23-21(24)20-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)20/h2-12,20H,1H3,(H,23,24)
InChIKey WCYHTTNDAGQXEC-UHFFFAOYSA-N
Mol Weight 394.27 g/mol
Molecular Formula C21H16BrNO2
Exact Mass 393.036442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KsuNUmr6JC
Name N-(4-Bromo-3-methylphenyl)-9H-xanthene-9-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 393.036441757 u
Formula C21H16BrNO2
InChI InChI=1S/C21H16BrNO2/c1-13-12-14(10-11-17(13)22)23-21(24)20-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)20/h2-12,20H,1H3,(H,23,24)
InChIKey WCYHTTNDAGQXEC-UHFFFAOYSA-N
Molecular Weight 394.268 g/mol
SMILES N(C(C1C2=C(C=CC=C2)OC=2C1=CC=CC2)=O)C1=CC(C)=C(C=C1)Br