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4-Iodophenyl (8-(2-propenyl)-3-coumarincarboxamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

4-Iodophenyl (8-(2-propenyl)-3-coumarincarboxamide
SpectraBase Compound ID EENEcNGbDrC
InChI InChI=1S/C19H14INO3/c1-2-4-12-5-3-6-13-11-16(19(23)24-17(12)13)18(22)21-15-9-7-14(20)8-10-15/h2-3,5-11H,1,4H2,(H,21,22)
InChIKey URJPDXSMVKLERF-UHFFFAOYSA-N
Mol Weight 431.23 g/mol
Molecular Formula C19H14INO3
Exact Mass 431.001838 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GEbHuBHCdUS
Name 4-Iodophenyl (8-(2-propenyl)-3-coumarincarboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.001838312 u
Formula C19H14INO3
InChI InChI=1S/C19H14INO3/c1-2-4-12-5-3-6-13-11-16(19(23)24-17(12)13)18(22)21-15-9-7-14(20)8-10-15/h2-3,5-11H,1,4H2,(H,21,22)
InChIKey URJPDXSMVKLERF-UHFFFAOYSA-N
Molecular Weight 431.229 g/mol
SMILES C=1(C(OC=2C(C1)=CC=CC2CC=C)=O)C(NC1=CC=C(C=C1)I)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862258