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2-[(3-Bromophenyl)carbonylamino]-4,5-dimethoxy-benzoic acid

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

2-[(3-Bromophenyl)carbonylamino]-4,5-dimethoxy-benzoic acid
SpectraBase Compound ID GkLXUXRwHTF
InChI InChI=1S/C16H14BrNO5/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKey LEEOWPIIPHTMEX-UHFFFAOYSA-N
Mol Weight 380.19 g/mol
Molecular Formula C16H14BrNO5
Exact Mass 379.005536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kx87YMhOQZd
Name 2-[(3-Bromophenyl)carbonylamino]-4,5-dimethoxy-benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 379.005535550 u
Formula C16H14BrNO5
InChI InChI=1S/C16H14BrNO5/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKey LEEOWPIIPHTMEX-UHFFFAOYSA-N
Molecular Weight 380.194 g/mol
SMILES C1(=C(NC(C2=CC(Br)=CC=C2)=O)C=C(C(=C1)OC)OC)C(=O)O