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N-(4-Nitrobenzoyl)phenylalanine, tms derivative
SpectraBase Compound ID BDFQYnOqBCO
InChI InChI=1S/C19H22N2O5Si/c1-27(2,3)26-19(23)17(13-14-7-5-4-6-8-14)20-18(22)15-9-11-16(12-10-15)21(24)25/h4-12,17H,13H2,1-3H3,(H,20,22)
InChIKey LWKWZSHIJCQBEH-UHFFFAOYSA-N
Mol Weight 386.48 g/mol
Molecular Formula C19H22N2O5Si
Exact Mass 386.129798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWJKjGLLRzJ
Name N-(4-Nitrobenzoyl)phenylalanine, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 386.129798346 u
Formula C19H22N2O5Si
InChI InChI=1S/C19H22N2O5Si/c1-27(2,3)26-19(23)17(13-14-7-5-4-6-8-14)20-18(22)15-9-11-16(12-10-15)21(24)25/h4-12,17H,13H2,1-3H3,(H,20,22)
InChIKey LWKWZSHIJCQBEH-UHFFFAOYSA-N
Molecular Weight 386.479 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)O[Si](C)(C)C