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4-(Aminomethyl)-1-benzylpyrrolidin-2-one

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4-(Aminomethyl)-1-benzylpyrrolidin-2-one
SpectraBase Compound ID F986OYO6edT
InChI InChI=1S/C12H16N2O/c13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChIKey LCAFGJGYCUMTGS-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C12H16N2O
Exact Mass 204.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6UVYgASsCh7
Name 4-(Aminomethyl)-1-benzylpyrrolidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.126263142 u
Formula C12H16N2O
InChI InChI=1S/C12H16N2O/c13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChIKey LCAFGJGYCUMTGS-UHFFFAOYSA-N
Molecular Weight 204.273 g/mol
SMILES C(N1C(=O)CC(C1)CN)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950279