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3-[2-(1-methyl-2(1H)-pyridylidene)ethylidene]-2,4-chromandione

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

3-[2-(1-methyl-2(1H)-pyridylidene)ethylidene]-2,4-chromandione
SpectraBase Compound ID UEdlMXPHr8
InChI InChI=1S/C17H13NO3/c1-18-11-5-4-6-12(18)9-10-14-16(19)13-7-2-3-8-15(13)21-17(14)20/h2-11H,1H3
InChIKey BYPQUHMLQCAGAE-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LXC5Epnfn0Y
Name 3-[2-(1-Methyl-2(1H)-pyridylidene)ethylidene]-2,4-chromandione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.089543280 u
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-18-11-5-4-6-12(18)9-10-14-16(19)13-7-2-3-8-15(13)21-17(14)20/h2-11H,1H3
InChIKey BYPQUHMLQCAGAE-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES C=12C=CC=CC1OC(C(C2=O)=CC=C1N(C=CC=C1)C)=O
Spectrum/Structure Validation Score (Raman) 0.798061