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3-Phenyl-N-(phenylacetyl)-.beta.-alanine, tms derivative
SpectraBase Compound ID 7B5Oqm8YWLz
InChI InChI=1S/C20H25NO3Si/c1-25(2,3)24-20(23)15-18(17-12-8-5-9-13-17)21-19(22)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,21,22)
InChIKey GOYBSBAGAFZJRI-UHFFFAOYSA-N
Mol Weight 355.51 g/mol
Molecular Formula C20H25NO3Si
Exact Mass 355.16037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIqA0rsRc1W
Name 3-Phenyl-N-(phenylacetyl)-.beta.-alanine, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.160370201 u
Formula C20H25NO3Si
InChI InChI=1S/C20H25NO3Si/c1-25(2,3)24-20(23)15-18(17-12-8-5-9-13-17)21-19(22)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,21,22)
InChIKey GOYBSBAGAFZJRI-UHFFFAOYSA-N
Molecular Weight 355.509 g/mol
SMILES C(NC(=O)CC1=CC=CC=C1)(CC(=O)O[Si](C)(C)C)C1=CC=CC=C1