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

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

2-(3,4-Difluoro-phenyl)-1,4-dipiperidin-1-yl-butane-1,4-dione
SpectraBase Compound ID 74tJdcnIhVS
InChI InChI=1S/C20H26F2N2O2/c21-17-8-7-15(13-18(17)22)16(20(26)24-11-5-2-6-12-24)14-19(25)23-9-3-1-4-10-23/h7-8,13,16H,1-6,9-12,14H2
InChIKey WCALRLGODGJVLA-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C20H26F2N2O2
Exact Mass 364.196234 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4lRozHhQntQ
Name 2-(3,4-Difluoro-phenyl)-1,4-dipiperidin-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 364.196234409 u
Formula C20H26F2N2O2
InChI InChI=1S/C20H26F2N2O2/c21-17-8-7-15(13-18(17)22)16(20(26)24-11-5-2-6-12-24)14-19(25)23-9-3-1-4-10-23/h7-8,13,16H,1-6,9-12,14H2
InChIKey WCALRLGODGJVLA-UHFFFAOYSA-N
Molecular Weight 364.437 g/mol
SMILES C(C(CC(=O)N1CCCCC1)C=1C=C(C(=CC1)F)F)(=O)N1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910009