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N-(4-bromo-2-fluorophenyl)-9H-xanthene-9-carboxamide
SpectraBase Compound ID EfvWkh4YIN
InChI InChI=1S/C20H13BrFNO2/c21-12-9-10-16(15(22)11-12)23-20(24)19-13-5-1-3-7-17(13)25-18-8-4-2-6-14(18)19/h1-11,19H,(H,23,24)
InChIKey IVASUCWHFVFOJK-UHFFFAOYSA-N
Mol Weight 398.23 g/mol
Molecular Formula C20H13BrFNO2
Exact Mass 397.01137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeCO9QAaz1j
Name N-(4-Bromo-2-fluorophenyl)-9H-xanthene-9-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 397.011369824 u
Formula C20H13BrFNO2
InChI InChI=1S/C20H13BrFNO2/c21-12-9-10-16(15(22)11-12)23-20(24)19-13-5-1-3-7-17(13)25-18-8-4-2-6-14(18)19/h1-11,19H,(H,23,24)
InChIKey IVASUCWHFVFOJK-UHFFFAOYSA-N
Molecular Weight 398.231 g/mol
SMILES N(C(C1C=2C(=CC=CC2)OC2=C1C=CC=C2)=O)C1=C(C=C(C=C1)Br)F