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2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-5-bromobenzoic acid

View entire compound with spectra: 2 NMR

2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-5-bromobenzoic acid
SpectraBase Compound ID 9MXReOVKNxe
InChI InChI=1S/C20H14BrNO3/c21-16-10-11-18(17(12-16)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKey HQRXUHNDNXQYCV-UHFFFAOYSA-N
Mol Weight 396.24 g/mol
Molecular Formula C20H14BrNO3
Exact Mass 395.015706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eKcugkvvj4
Name 2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-5-bromobenzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 395.015706312 u
Formula C20H14BrNO3
InChI InChI=1S/C20H14BrNO3/c21-16-10-11-18(17(12-16)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKey HQRXUHNDNXQYCV-UHFFFAOYSA-N
Molecular Weight 396.240 g/mol
SMILES N(C(C=1C=CC(=CC1)C1=CC=CC=C1)=O)C1=C(C(=O)O)C=C(C=C1)Br