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N-Isobutyl-2-oxo-2H-chromene-3-carboxamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Isobutyl-2-oxo-2H-chromene-3-carboxamide
SpectraBase Compound ID DhSHcwrOBOs
InChI InChI=1S/C14H15NO3/c1-9(2)8-15-13(16)11-7-10-5-3-4-6-12(10)18-14(11)17/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKey BKVFDOZWDVAMFZ-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6yjB6e7GNhU
Name N-Isobutyl-2-oxo-2H-chromene-3-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.105193344 u
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-9(2)8-15-13(16)11-7-10-5-3-4-6-12(10)18-14(11)17/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKey BKVFDOZWDVAMFZ-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES C(NC(=O)C1=CC2=C(C=CC=C2)OC1=O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907106