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3-[(4-Nitrophenyl)methyl]hept-3-ene-2,6-dione

View entire compound with spectra: 1 FTIR

3-[(4-Nitrophenyl)methyl]hept-3-ene-2,6-dione
SpectraBase Compound ID IJ3iTnaq5m4
InChI InChI=1S/C14H15NO4/c1-10(16)3-6-13(11(2)17)9-12-4-7-14(8-5-12)15(18)19/h4-8H,3,9H2,1-2H3/b13-6+
InChIKey DPUPVTKVSSFKNG-AWNIVKPZSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4WSxmaFkfgP
Name 3-[(4-Nitrophenyl)methyl]hept-3-ene-2,6-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.100107963 u
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-10(16)3-6-13(11(2)17)9-12-4-7-14(8-5-12)15(18)19/h4-8H,3,9H2,1-2H3/b13-6+
InChIKey DPUPVTKVSSFKNG-AWNIVKPZSA-N
Molecular Weight 261.277 g/mol
SMILES C(\C=C\(C(C)=O)CC1=CC=C(C=C1)N(=O)=O)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911701