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(4S,5R)-1-benzyl-4-hydroxy-5-methyl-2-pyrrolidone

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

(4S,5R)-1-benzyl-4-hydroxy-5-methyl-2-pyrrolidone
SpectraBase Compound ID JDhfjQXptDF
InChI InChI=1S/C12H15NO2/c1-9-11(14)7-12(15)13(9)8-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t9-,11+/m1/s1
InChIKey QUDBRNOZPIONHZ-KOLCDFICSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID f0terDIQXB
Name (4S,5R)-1-Benzyl-4-hydroxy-5-methyl-2-pyrrolidone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.110278725 u
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-9-11(14)7-12(15)13(9)8-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t9-,11+/m1/s1
InChIKey QUDBRNOZPIONHZ-KOLCDFICSA-N
Molecular Weight 205.257 g/mol
SMILES C1(N([C@@]([C@](C1)(O)[H])(C)[H])CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942751