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3-nitro-4,5,6-triphenyl-2H-pyran-2-one

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 UV-Vis

3-nitro-4,5,6-triphenyl-2H-pyran-2-one
SpectraBase Compound ID JOQaiOWIMC9
InChI InChI=1S/C23H15NO4/c25-23-21(24(26)27)19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(28-23)18-14-8-3-9-15-18/h1-15H
InChIKey LMRTXMDCIYHRRB-UHFFFAOYSA-N
Mol Weight 369.38 g/mol
Molecular Formula C23H15NO4
Exact Mass 369.100108 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5fS1kPu3JkI
Name 3-Nitro-4,5,6-triphenyl-2H-pyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.100107963 u
Formula C23H15NO4
InChI InChI=1S/C23H15NO4/c25-23-21(24(26)27)19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(28-23)18-14-8-3-9-15-18/h1-15H
InChIKey LMRTXMDCIYHRRB-UHFFFAOYSA-N
Molecular Weight 369.376 g/mol
SMILES N(=O)(=O)C1=C(C(=C(OC1=O)C=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.732642