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(3R)-3-Hydroxy-5-oxo-5-phenylpentanenitrile

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

(3R)-3-Hydroxy-5-oxo-5-phenylpentanenitrile
SpectraBase Compound ID A8CUDQVZFEd
InChI InChI=1S/C11H11NO2/c12-7-6-10(13)8-11(14)9-4-2-1-3-5-9/h1-5,10,13H,6,8H2/t10-/m1/s1
InChIKey WPOGPGFVPUEHAW-SNVBAGLBSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D6eOddNP55I
Name (3R)-3-Hydroxy-5-oxo-5-phenylpentanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.078978596 u
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c12-7-6-10(13)8-11(14)9-4-2-1-3-5-9/h1-5,10,13H,6,8H2/t10-/m1/s1
InChIKey WPOGPGFVPUEHAW-SNVBAGLBSA-N
Molecular Weight 189.214 g/mol
SMILES C(C[C@@](CC#N)(O)[H])(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966374