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2-Methyl-4-phenyl-1-pyrrolidin-1-yl-butanne-1,4-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Methyl-4-phenyl-1-pyrrolidin-1-yl-butanne-1,4-dione
SpectraBase Compound ID FgwqZxjUa5P
InChI InChI=1S/C15H19NO2/c1-12(15(18)16-9-5-6-10-16)11-14(17)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKey XKZBMUVEYKKLER-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9IuPsbTaPWW
Name 2-Methyl-4-phenyl-1-pyrrolidin-1-yl-butanne-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.141578854 u
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-12(15(18)16-9-5-6-10-16)11-14(17)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKey XKZBMUVEYKKLER-UHFFFAOYSA-N
Molecular Weight 245.322 g/mol
SMILES C1N(CCC1)C(C(CC(C1=CC=CC=C1)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947126