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4-Methyl-7-(4-methylbenzyl)oxy-coumarin

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

4-Methyl-7-(4-methylbenzyl)oxy-coumarin
SpectraBase Compound ID 5teDig7zVbk
InChI InChI=1S/C18H16O3/c1-12-3-5-14(6-4-12)11-20-15-7-8-16-13(2)9-18(19)21-17(16)10-15/h3-10H,11H2,1-2H3
InChIKey WARYTMCPNCACHA-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HBDgd3RtIgP
Name 4-Methyl-7-(4-methylbenzyl)oxy-coumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.109944372 u
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-12-3-5-14(6-4-12)11-20-15-7-8-16-13(2)9-18(19)21-17(16)10-15/h3-10H,11H2,1-2H3
InChIKey WARYTMCPNCACHA-UHFFFAOYSA-N
SMILES C1(OC=2C=C(C=CC2C(=C1)C)OCC=1C=CC(=CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822086