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(E)-4-methyl-1-(4-nitrophenyl)-1-penten-3-one

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

(E)-4-methyl-1-(4-nitrophenyl)-1-penten-3-one
SpectraBase Compound ID LYlMkIWFCCh
InChI InChI=1S/C12H13NO3/c1-9(2)12(14)8-5-10-3-6-11(7-4-10)13(15)16/h3-9H,1-2H3/b8-5+
InChIKey KQYSDBJRUMAOHV-VMPITWQZSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EVNC8kUhmuu
Name (E)-4-Methyl-1-(4-nitrophenyl)-1-penten-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-9(2)12(14)8-5-10-3-6-11(7-4-10)13(15)16/h3-9H,1-2H3/b8-5+
InChIKey KQYSDBJRUMAOHV-VMPITWQZSA-N
Molecular Weight 219.240 g/mol
SMILES C1(N(=O)=O)=CC=C(\C=C\C(=O)C(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906578