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3-[2-(4-Fluoroanilino)-2-oxoethoxy]benzoic acid, tms ester

View entire compound with spectra: 1 NMR

3-[2-(4-Fluoroanilino)-2-oxoethoxy]benzoic acid, tms ester
SpectraBase Compound ID DdCQkPj9SQ6
InChI InChI=1S/C18H20FNO4Si/c1-25(2,3)24-18(22)13-5-4-6-16(11-13)23-12-17(21)20-15-9-7-14(19)8-10-15/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey HKHPHZSGYPGPFR-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C18H20FNO4Si
Exact Mass 361.114563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DC4JM7dopkC
Name 3-[2-(4-Fluoroanilino)-2-oxoethoxy]benzoic acid, tms ester
Comments Computed using HOSE algorithm
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Exact Mass 361.114562822 u
Formula C18H20FNO4Si
InChI InChI=1S/C18H20FNO4Si/c1-25(2,3)24-18(22)13-5-4-6-16(11-13)23-12-17(21)20-15-9-7-14(19)8-10-15/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey HKHPHZSGYPGPFR-UHFFFAOYSA-N
Molecular Weight 361.444 g/mol
SMILES C1(F)=CC=C(C=C1)NC(=O)COC1=CC(C(O[Si](C)(C)C)=O)=CC=C1