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6-Methyl-2-(4-nitrophenyl)-1-benzopyran-4-one

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

6-Methyl-2-(4-nitrophenyl)-1-benzopyran-4-one
SpectraBase Compound ID AOI4CW88FVF
InChI InChI=1S/C16H11NO4/c1-10-2-7-15-13(8-10)14(18)9-16(21-15)11-3-5-12(6-4-11)17(19)20/h2-9H,1H3
InChIKey CRIYWWZALOCTHL-UHFFFAOYSA-N
Mol Weight 281.27 g/mol
Molecular Formula C16H11NO4
Exact Mass 281.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4XLVAXfNZzK
Name 6-Methyl-2-(4-nitrophenyl)-1-benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.068807834 u
Formula C16H11NO4
InChI InChI=1S/C16H11NO4/c1-10-2-7-15-13(8-10)14(18)9-16(21-15)11-3-5-12(6-4-11)17(19)20/h2-9H,1H3
InChIKey CRIYWWZALOCTHL-UHFFFAOYSA-N
SMILES C1(=CC(=O)C=2C=C(C=CC2O1)C)C=1C=CC(=CC1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968997