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Coumarin, 3-[4-(2,4-dichlorobenzoylamino)phenyl]-

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

Coumarin, 3-[4-(2,4-dichlorobenzoylamino)phenyl]-
SpectraBase Compound ID 6JayxcxeRGU
InChI InChI=1S/C22H13Cl2NO3/c23-15-7-10-17(19(24)12-15)21(26)25-16-8-5-13(6-9-16)18-11-14-3-1-2-4-20(14)28-22(18)27/h1-12H,(H,25,26)
InChIKey BTUDHLHKTRDPBN-UHFFFAOYSA-N
Mol Weight 410.26 g/mol
Molecular Formula C22H13Cl2NO3
Exact Mass 409.027249 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4W6h9roc877
Name Coumarin, 3-[4-(2,4-dichlorobenzoylamino)phenyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.027248680 u
Formula C22H13Cl2NO3
InChI InChI=1S/C22H13Cl2NO3/c23-15-7-10-17(19(24)12-15)21(26)25-16-8-5-13(6-9-16)18-11-14-3-1-2-4-20(14)28-22(18)27/h1-12H,(H,25,26)
InChIKey BTUDHLHKTRDPBN-UHFFFAOYSA-N
Molecular Weight 410.256 g/mol
SMILES C12=CC=CC=C2OC(C(=C1)C1=CC=C(C=C1)NC(=O)C1=C(C=C(C=C1)Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868409