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4-[4-(Benzyloxy)anilino]-4-oxobutanoic acid, tms derivative

View entire compound with spectra: 1 NMR

4-[4-(Benzyloxy)anilino]-4-oxobutanoic acid, tms derivative
SpectraBase Compound ID Fv5OAnMg92W
InChI InChI=1S/C20H25NO4Si/c1-26(2,3)25-20(23)14-13-19(22)21-17-9-11-18(12-10-17)24-15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKey OBFFAJMOIUMAEN-UHFFFAOYSA-N
Mol Weight 371.51 g/mol
Molecular Formula C20H25NO4Si
Exact Mass 371.155285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJqnusWXXMU
Name 4-[4-(Benzyloxy)anilino]-4-oxobutanoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 371.155284820 u
Formula C20H25NO4Si
InChI InChI=1S/C20H25NO4Si/c1-26(2,3)25-20(23)14-13-19(22)21-17-9-11-18(12-10-17)24-15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKey OBFFAJMOIUMAEN-UHFFFAOYSA-N
Molecular Weight 371.508 g/mol
SMILES C1(NC(=O)CCC(=O)O[Si](C)(C)C)=CC=C(C=C1)OCC1=CC=CC=C1