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(2S,3S)-3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid tert-butyl ester

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

(2S,3S)-3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid tert-butyl ester
SpectraBase Compound ID F4ibEEJKB8N
InChI InChI=1S/C20H25NO4S/c1-20(2,3)25-19(23)17(22)18(13-9-11-14(24-4)12-10-13)26-16-8-6-5-7-15(16)21/h5-12,17-18,22H,21H2,1-4H3/t17-,18+/m1/s1
InChIKey ZNEVUPRZXQUMDG-MSOLQXFVSA-N
Mol Weight 375.48 g/mol
Molecular Formula C20H25NO4S
Exact Mass 375.150429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxRL8ifpCbe
Name (2S,3S)-3-[(2-Aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.150429459 u
Formula C20H25NO4S
InChI InChI=1S/C20H25NO4S/c1-20(2,3)25-19(23)17(22)18(13-9-11-14(24-4)12-10-13)26-16-8-6-5-7-15(16)21/h5-12,17-18,22H,21H2,1-4H3/t17-,18+/m1/s1
InChIKey ZNEVUPRZXQUMDG-MSOLQXFVSA-N
Molecular Weight 375.483 g/mol
SMILES [C@@](C(OC(C)(C)C)=O)([C@@](SC1=C(N)C=CC=C1)(C=1C=CC(=CC1)OC)[H])(O)[H]