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4-Methyl-4'-nitrochalcone

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4-Methyl-4'-nitrochalcone
SpectraBase Compound ID 6dFG6BRc1EY
InChI InChI=1S/C16H13NO3/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(10-8-14)17(19)20/h2-11H,1H3
InChIKey SBRXCTYIGBXNJY-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7K7T16Lgj6k
Name 4-Methyl-4'-nitrochalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.089543280 u
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(10-8-14)17(19)20/h2-11H,1H3
InChIKey SBRXCTYIGBXNJY-UHFFFAOYSA-N
Molecular Weight 267.284 g/mol
SMILES N(=O)(=O)C1=CC=C(C=C1)C(C=CC=1C=CC(=CC1)C)=O
Spectrum/Structure Validation Score (Raman) 0.983223