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N-Benzoyl-(2R,3S)-3-phenylisoserine

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

N-Benzoyl-(2R,3S)-3-phenylisoserine
SpectraBase Compound ID CdkJCtBLeBE
InChI InChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1
InChIKey HYJVYOWKYPNSTK-UONOGXRCSA-N
Mol Weight 285.3 g/mol
Molecular Formula C16H15NO4
Exact Mass 285.100108 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1W6r4yEFy7P
Name N-Benzoyl-(2R,3S)-3-phenylisoserine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.100107963 u
Formula C16H15NO4
InChI InChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1
InChIKey HYJVYOWKYPNSTK-UONOGXRCSA-N
Molecular Weight 285.299 g/mol
SMILES [C@](NC(=O)C=1C=CC=CC1)([C@](C(=O)O)(O)[H])(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Raman) 0.996448