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4-(N-Propyl)oxy-6-methoxycoumarin

View entire compound with spectra: 1 FTIR

4-(N-Propyl)oxy-6-methoxycoumarin
SpectraBase Compound ID 8j3FTn36rxE
InChI InChI=1S/C13H14O4/c1-3-6-16-12-8-13(14)17-11-5-4-9(15-2)7-10(11)12/h4-5,7-8H,3,6H2,1-2H3
InChIKey XUBRATJYWLSRGS-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BZ8PLGBk2lS
Name 4-(N-Propyl)oxy-6-methoxycoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.089208927 u
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-3-6-16-12-8-13(14)17-11-5-4-9(15-2)7-10(11)12/h4-5,7-8H,3,6H2,1-2H3
InChIKey XUBRATJYWLSRGS-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES C1=C(OC)C=C2C(=C1)OC(=O)C=C2OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934027