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1-(3-Methoxyphenyl)-2-(piperazin-1-yl)ethane-1,2-dione

View entire compound with spectra: 1 FTIR

1-(3-Methoxyphenyl)-2-(piperazin-1-yl)ethane-1,2-dione
SpectraBase Compound ID E5PPkfOkruZ
InChI InChI=1S/C13H16N2O3/c1-18-11-4-2-3-10(9-11)12(16)13(17)15-7-5-14-6-8-15/h2-4,9,14H,5-8H2,1H3
InChIKey VLCJBPCBDKZOLL-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 7nxVjIxJNiE
Name 1-(3-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/c1-18-11-4-2-3-10(9-11)12(16)13(17)15-7-5-14-6-8-15/h2-4,9,14H,5-8H2,1H3
InChIKey VLCJBPCBDKZOLL-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES C1NCCN(C1)C(=O)C(=O)C1=CC(=CC=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88474