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5-Bromo-2-[(2-fluorobenzoyl)amino]benzoic acid, tms derivative
SpectraBase Compound ID 5fA8plZ4kSs
InChI InChI=1S/C17H17BrFNO3Si/c1-24(2,3)23-17(22)13-10-11(18)8-9-15(13)20-16(21)12-6-4-5-7-14(12)19/h4-10H,1-3H3,(H,20,21)
InChIKey ADRNSKZIHVKQNR-UHFFFAOYSA-N
Mol Weight 410.31 g/mol
Molecular Formula C17H17BrFNO3Si
Exact Mass 409.014511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DF0ihNPATzc
Name 5-Bromo-2-[(2-fluorobenzoyl)amino]benzoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 409.014511106 u
Formula C17H17BrFNO3Si
InChI InChI=1S/C17H17BrFNO3Si/c1-24(2,3)23-17(22)13-10-11(18)8-9-15(13)20-16(21)12-6-4-5-7-14(12)19/h4-10H,1-3H3,(H,20,21)
InChIKey ADRNSKZIHVKQNR-UHFFFAOYSA-N
Molecular Weight 410.314 g/mol
SMILES C1(F)=C(C=CC=C1)C(=O)NC1=C(C=C(C=C1)Br)C(=O)O[Si](C)(C)C