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5-Bromanyl-2-[2-(2-chloranylphenoxy)ethanoylamino]benzoic acid

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

5-Bromanyl-2-[2-(2-chloranylphenoxy)ethanoylamino]benzoic acid
SpectraBase Compound ID 8xQ8x2wanjs
InChI InChI=1S/C15H11BrClNO4/c16-9-5-6-12(10(7-9)15(20)21)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKey HULHWMRDXIICIG-UHFFFAOYSA-N
Mol Weight 384.61 g/mol
Molecular Formula C15H11BrClNO4
Exact Mass 382.955999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDLxYIrP8qR
Name 5-Bromanyl-2-[2-(2-chloranylphenoxy)ethanoylamino]benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 382.955998534 u
Formula C15H11BrClNO4
InChI InChI=1S/C15H11BrClNO4/c16-9-5-6-12(10(7-9)15(20)21)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKey HULHWMRDXIICIG-UHFFFAOYSA-N
Molecular Weight 384.613 g/mol
SMILES C1(=C(NC(=O)COC2=C(Cl)C=CC=C2)C=CC(=C1)Br)C(=O)O