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3-(2-Naphthyl)-D-alanine, N,N-di-acetyl, o-tms
SpectraBase Compound ID bTA9D3uVVi
InChI InChI=1S/C20H25NO4Si/c1-14(22)21(15(2)23)19(20(24)25-26(3,4)5)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,19H,13H2,1-5H3/t19-/m1/s1
InChIKey CYTUBQQIMULNKE-LJQANCHMSA-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 DAX43xCPFxJ
Name 3-(2-Naphthyl)-D-alanine, N,N-di-acetyl, o-tms
Comments Computed using HOSE algorithm
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Exact Mass 371.155284820 u
Formula C20H25NO4Si
InChI InChI=1S/C20H25NO4Si/c1-14(22)21(15(2)23)19(20(24)25-26(3,4)5)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,19H,13H2,1-5H3/t19-/m1/s1
InChIKey CYTUBQQIMULNKE-LJQANCHMSA-N
Molecular Weight 371.508 g/mol
SMILES C([C@](N(C(=O)C)C(=O)C)(CC1=CC2=C(C=C1)C=CC=C2)[H])(=O)O[Si](C)(C)C