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2-(3,4-Difluoro-phenyl)-1,4-dipyrrolidin-1-yl-butane-1,4-dione

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

2-(3,4-Difluoro-phenyl)-1,4-dipyrrolidin-1-yl-butane-1,4-dione
SpectraBase Compound ID BlELLbSI2Q7
InChI InChI=1S/C18H22F2N2O2/c19-15-6-5-13(11-16(15)20)14(18(24)22-9-3-4-10-22)12-17(23)21-7-1-2-8-21/h5-6,11,14H,1-4,7-10,12H2
InChIKey CZQQSWFDYZSDOG-UHFFFAOYSA-N
Mol Weight 336.38 g/mol
Molecular Formula C18H22F2N2O2
Exact Mass 336.164934 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ztrYXGx7t6
Name 2-(3,4-Difluoro-phenyl)-1,4-dipyrrolidin-1-yl-butane-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.164934280 u
Formula C18H22F2N2O2
InChI InChI=1S/C18H22F2N2O2/c19-15-6-5-13(11-16(15)20)14(18(24)22-9-3-4-10-22)12-17(23)21-7-1-2-8-21/h5-6,11,14H,1-4,7-10,12H2
InChIKey CZQQSWFDYZSDOG-UHFFFAOYSA-N
Molecular Weight 336.383 g/mol
SMILES C(C(CC(=O)N1CCCC1)C=1C=C(C(=CC1)F)F)(=O)N1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938961