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1-(4-Methoxyphenyl)-2-(piperazin-1-yl)ethane-1,2-dione

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

1-(4-Methoxyphenyl)-2-(piperazin-1-yl)ethane-1,2-dione
SpectraBase Compound ID 2vZvnuqFX15
InChI InChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)12(16)13(17)15-8-6-14-7-9-15/h2-5,14H,6-9H2,1H3
InChIKey LBHWTXQUHBWVNU-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 212ltm7lwcV
Name 1-(4-Methoxyphenyl)-2-(piperazin-1-yl)ethane-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.116092380 u
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)12(16)13(17)15-8-6-14-7-9-15/h2-5,14H,6-9H2,1H3
InChIKey LBHWTXQUHBWVNU-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES C1NCCN(C1)C(=O)C(=O)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920161