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(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one

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

(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
SpectraBase Compound ID E4aydYrAzhp
InChI InChI=1S/C12H15NO2/c14-9-11-6-7-12(15)13(11)8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1
InChIKey OECBQTBLDLREAV-NSHDSACASA-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 C5ICx02vYFW
Name (5S)-1-Benzyl-5-(hydroxymethyl)pyrrolidin-2-one
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/c14-9-11-6-7-12(15)13(11)8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1
InChIKey OECBQTBLDLREAV-NSHDSACASA-N
Molecular Weight 205.257 g/mol
SMILES C1(N([C@@](CC1)(CO)[H])CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952999