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7-(N-Butyl)amino-4-methylcoumarin

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

7-(N-Butyl)amino-4-methylcoumarin
SpectraBase Compound ID GVeHnAsdMCI
InChI InChI=1S/C14H17NO2/c1-3-4-7-15-11-5-6-12-10(2)8-14(16)17-13(12)9-11/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKey NDLFZLPQECAGEP-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Oc9ZSL7LVv
Name 7-(N-Butyl)amino-4-methylcoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.125928789 u
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-3-4-7-15-11-5-6-12-10(2)8-14(16)17-13(12)9-11/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKey NDLFZLPQECAGEP-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES C1(=CC=C2C(=C1)OC(=O)C=C2C)NCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840974