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2-{[(4-bromophenoxy)acetyl]amino}benzoic acid, 1tms derivative
SpectraBase Compound ID 5NawVBSbhvo
InChI InChI=1S/C18H20BrNO4Si/c1-25(2,3)24-18(22)15-6-4-5-7-16(15)20-17(21)12-23-14-10-8-13(19)9-11-14/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey LQXDMZFBHBALAH-UHFFFAOYSA-N
Mol Weight 422.35 g/mol
Molecular Formula C18H20BrNO4Si
Exact Mass 421.034498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOg4ojlF2jk
Name 2-{[(4-bromophenoxy)acetyl]amino}benzoic acid, 1tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 421.034497659 u
Formula C18H20BrNO4Si
InChI InChI=1S/C18H20BrNO4Si/c1-25(2,3)24-18(22)15-6-4-5-7-16(15)20-17(21)12-23-14-10-8-13(19)9-11-14/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey LQXDMZFBHBALAH-UHFFFAOYSA-N
Molecular Weight 422.350 g/mol
SMILES C1(Br)=CC=C(C=C1)OCC(=O)NC1=C(C=CC=C1)C(=O)O[Si](C)(C)C