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3-[(E)-2-(4-nitrophenyl)ethenyl]-1-benzopyran-4-one

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

3-[(E)-2-(4-nitrophenyl)ethenyl]-1-benzopyran-4-one
SpectraBase Compound ID 4u9lYMbwNLy
InChI InChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H/b8-5+
InChIKey SOSALDPSJPEFEK-VMPITWQZSA-N
Mol Weight 293.28 g/mol
Molecular Formula C17H11NO4
Exact Mass 293.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CwgsyHnZafQ
Name 3-[(E)-2-(4-Nitrophenyl)ethenyl]-1-benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.068807834 u
Formula C17H11NO4
InChI InChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H/b8-5+
InChIKey SOSALDPSJPEFEK-VMPITWQZSA-N
SMILES C1(N(=O)=O)=CC=C(\C=C\C=2C(C=3C=CC=CC3OC2)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955854