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

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

3-[(Allylthioureido)methylene]-4-oxocoumarin
SpectraBase Compound ID 34sCkzNIlUQ
InChI InChI=1S/C14H12N2O3S/c1-2-7-16(14(15)20)8-10-12(17)9-5-3-4-6-11(9)19-13(10)18/h2-6,8H,1,7H2,(H2,15,20)/b10-8-
InChIKey XAEDBWBOVIGMBC-NTMALXAHSA-N
Mol Weight 288.32 g/mol
Molecular Formula C14H12N2O3S
Exact Mass 288.056863 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HUJ6Z9O8YDa
Name 3-[(Allylthioureido)methylene]-4-oxocoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.056863425 u
Formula C14H12N2O3S
InChI InChI=1S/C14H12N2O3S/c1-2-7-16(14(15)20)8-10-12(17)9-5-3-4-6-11(9)19-13(10)18/h2-6,8H,1,7H2,(H2,15,20)/b10-8-
InChIKey XAEDBWBOVIGMBC-NTMALXAHSA-N
SMILES C1(\C(C(C2=C(O1)C=CC=C2)=O)=C/N(C(=S)N)CC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957214