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(3S)-3-Ethoxycarbonylamino-4-hydroxy-4,4-diphenylbutanoic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3S)-3-Ethoxycarbonylamino-4-hydroxy-4,4-diphenylbutanoic acid methyl ester
SpectraBase Compound ID iIvOJwzQ4F
InChI InChI=1S/C20H23NO5/c1-3-26-19(23)21-17(14-18(22)25-2)20(24,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,24H,3,14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKey LDXNRHNYCQNLEM-KRWDZBQOSA-N
Mol Weight 357.41 g/mol
Molecular Formula C20H23NO5
Exact Mass 357.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID U9pE5oV2rv
Name (3S)-3-Ethoxycarbonylamino-4-hydroxy-4,4-diphenylbutanoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.157622840 u
Formula C20H23NO5
InChI InChI=1S/C20H23NO5/c1-3-26-19(23)21-17(14-18(22)25-2)20(24,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,24H,3,14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKey LDXNRHNYCQNLEM-KRWDZBQOSA-N
Molecular Weight 357.406 g/mol
SMILES [C@](C(C=1C=CC=CC1)(C=1C=CC=CC1)O)(CC(=O)OC)(NC(=O)OCC)[H]