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Benzenepropanoic acid, .beta.-[(4-chlorobenzoyl)amino]-4-methoxy-, tms derivative
SpectraBase Compound ID KBeOL59m5y5
InChI InChI=1S/C20H24ClNO4Si/c1-25-17-11-7-14(8-12-17)18(13-19(23)26-27(2,3)4)22-20(24)15-5-9-16(21)10-6-15/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKey QWPQFFPDUZWOJC-UHFFFAOYSA-N
Mol Weight 405.95 g/mol
Molecular Formula C20H24ClNO4Si
Exact Mass 405.116312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98Dpjxl4XIn
Name Benzenepropanoic acid, .beta.-[(4-chlorobenzoyl)amino]-4-methoxy-, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 405.116312488 u
Formula C20H24ClNO4Si
InChI InChI=1S/C20H24ClNO4Si/c1-25-17-11-7-14(8-12-17)18(13-19(23)26-27(2,3)4)22-20(24)15-5-9-16(21)10-6-15/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKey QWPQFFPDUZWOJC-UHFFFAOYSA-N
Molecular Weight 405.953 g/mol
SMILES C1(Cl)=CC=C(C=C1)C(=O)NC(CC(=O)O[Si](C)(C)C)C1=CC=C(C=C1)OC