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Coumarin-3-carboxamide, N-(3-bromophenyl)-

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

Coumarin-3-carboxamide, N-(3-bromophenyl)-
SpectraBase Compound ID KTrvmKhZW6I
InChI InChI=1S/C16H10BrNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKey WLJWSBVHUKWRGZ-UHFFFAOYSA-N
Mol Weight 344.16 g/mol
Molecular Formula C16H10BrNO3
Exact Mass 342.984406 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4aZs0O95Ob0
Name Coumarin-3-carboxamide, N-(3-bromophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.984406183 u
Formula C16H10BrNO3
InChI InChI=1S/C16H10BrNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKey WLJWSBVHUKWRGZ-UHFFFAOYSA-N
Molecular Weight 344.164 g/mol
SMILES C=1(C(OC=2C(C1)=CC=CC2)=O)C(NC=1C=CC=C(C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96187