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2-{[(2-chlorophenoxy)acetyl]amino}benzoic acid, tms derivative
SpectraBase Compound ID 4lB2zot2yr8
InChI InChI=1S/C18H20ClNO4Si/c1-25(2,3)24-18(22)13-8-4-6-10-15(13)20-17(21)12-23-16-11-7-5-9-14(16)19/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey IVEJJCBADFDPJO-UHFFFAOYSA-N
Mol Weight 377.9 g/mol
Molecular Formula C18H20ClNO4Si
Exact Mass 377.085012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRIaD0hxIVP
Name 2-{[(2-chlorophenoxy)acetyl]amino}benzoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 377.085012359 u
Formula C18H20ClNO4Si
InChI InChI=1S/C18H20ClNO4Si/c1-25(2,3)24-18(22)13-8-4-6-10-15(13)20-17(21)12-23-16-11-7-5-9-14(16)19/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey IVEJJCBADFDPJO-UHFFFAOYSA-N
Molecular Weight 377.899 g/mol
SMILES C1(Cl)=C(C=CC=C1)OCC(=O)NC1=C(C=CC=C1)C(=O)O[Si](C)(C)C