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3-[(Allylureido)methylene]-4-oxocoumarin

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

3-[(Allylureido)methylene]-4-oxocoumarin
SpectraBase Compound ID 47NcK0usFeb
InChI InChI=1S/C14H12N2O4/c1-2-7-16(14(15)19)8-10-12(17)9-5-3-4-6-11(9)20-13(10)18/h2-6,8H,1,7H2,(H2,15,19)/b10-8-
InChIKey SAOAXYVETOWBKO-NTMALXAHSA-N
Mol Weight 272.26 g/mol
Molecular Formula C14H12N2O4
Exact Mass 272.079707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FLvHsWAnkQo
Name 3-[(Allylureido)methylene]-4-oxocoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.079706870 u
Formula C14H12N2O4
InChI InChI=1S/C14H12N2O4/c1-2-7-16(14(15)19)8-10-12(17)9-5-3-4-6-11(9)20-13(10)18/h2-6,8H,1,7H2,(H2,15,19)/b10-8-
InChIKey SAOAXYVETOWBKO-NTMALXAHSA-N
SMILES C1(\C(C(C2=C(O1)C=CC=C2)=O)=C/N(C(=O)N)CC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957006