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1-[3-Nitro-4-(piperazin-1-yl)phenyl]ethanone

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

1-[3-Nitro-4-(piperazin-1-yl)phenyl]ethanone
SpectraBase Compound ID 7CqUO2LYjnr
InChI InChI=1S/C12H15N3O3/c1-9(16)10-2-3-11(12(8-10)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey GHEDOFZBDHZHEP-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C12H15N3O3
Exact Mass 249.111341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FwsKJfSM7F4
Name 1-[3-Nitro-4-(piperazin-1-yl)phenyl]ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.111341352 u
Formula C12H15N3O3
InChI InChI=1S/C12H15N3O3/c1-9(16)10-2-3-11(12(8-10)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey GHEDOFZBDHZHEP-UHFFFAOYSA-N
Molecular Weight 249.270 g/mol
SMILES CC(=O)C1=CC=C(N2CCNCC2)C(=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803625