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(2S,3R)-2-Benzyl-3-hydroxy-4-pentenoic acid

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

(2S,3R)-2-Benzyl-3-hydroxy-4-pentenoic acid
SpectraBase Compound ID 9hQ7ywN5reo
InChI InChI=1S/C12H14O3/c1-2-11(13)10(12(14)15)8-9-6-4-3-5-7-9/h2-7,10-11,13H,1,8H2,(H,14,15)/t10-,11+/m0/s1
InChIKey SHGJKDSOULCLQK-WDEREUQCSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EpGZMTDEu9R
Name (2S,3R)-2-Benzyl-3-hydroxy-4-pentenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-11(13)10(12(14)15)8-9-6-4-3-5-7-9/h2-7,10-11,13H,1,8H2,(H,14,15)/t10-,11+/m0/s1
InChIKey SHGJKDSOULCLQK-WDEREUQCSA-N
Molecular Weight 206.241 g/mol
SMILES C([C@]([C@@](C=C)(O)[H])(CC=1C=CC=CC1)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858401