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Coumarin-3-carboxamide, N-(4-iodophenyl)-

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

Coumarin-3-carboxamide, N-(4-iodophenyl)-
SpectraBase Compound ID BL1DsMHGcwe
InChI InChI=1S/C16H10INO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKey NRQJGVGVCDKKAK-UHFFFAOYSA-N
Mol Weight 391.16 g/mol
Molecular Formula C16H10INO3
Exact Mass 390.970538 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GIwkgNluhuR
Name Coumarin-3-carboxamide, N-(4-iodophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.970538183 u
Formula C16H10INO3
InChI InChI=1S/C16H10INO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKey NRQJGVGVCDKKAK-UHFFFAOYSA-N
Molecular Weight 391.164 g/mol
SMILES C=1(C(OC=2C(C1)=CC=CC2)=O)C(NC1=CC=C(C=C1)I)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976769