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4-(2-Benzoyl-4-chloroanilino)-4-oxobutanoic acid, tms derivative

View entire compound with spectra: 1 NMR

4-(2-Benzoyl-4-chloroanilino)-4-oxobutanoic acid, tms derivative
SpectraBase Compound ID Iiuiccc0uM0
InChI InChI=1S/C20H22ClNO4Si/c1-27(2,3)26-19(24)12-11-18(23)22-17-10-9-15(21)13-16(17)20(25)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,22,23)
InChIKey DQINSYVQVLDRAI-UHFFFAOYSA-N
Mol Weight 403.94 g/mol
Molecular Formula C20H22ClNO4Si
Exact Mass 403.100662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bta1t8dJpMZ
Name 4-(2-Benzoyl-4-chloroanilino)-4-oxobutanoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 403.100662423 u
Formula C20H22ClNO4Si
InChI InChI=1S/C20H22ClNO4Si/c1-27(2,3)26-19(24)12-11-18(23)22-17-10-9-15(21)13-16(17)20(25)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,22,23)
InChIKey DQINSYVQVLDRAI-UHFFFAOYSA-N
Molecular Weight 403.937 g/mol
SMILES C1(Cl)=CC(=C(C=C1)NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)C1=CC=CC=C1