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4-Methyl-7-(3-methylbenzyl)oxy-coumarin

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

4-Methyl-7-(3-methylbenzyl)oxy-coumarin
SpectraBase Compound ID DanjMVfqquG
InChI InChI=1S/C18H16O3/c1-12-4-3-5-14(8-12)11-20-15-6-7-16-13(2)9-18(19)21-17(16)10-15/h3-10H,11H2,1-2H3
InChIKey CLOMICLSUPDORN-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 2p1t4oNmGAi
Name 4-Methyl-7-(3-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/c1-12-4-3-5-14(8-12)11-20-15-6-7-16-13(2)9-18(19)21-17(16)10-15/h3-10H,11H2,1-2H3
InChIKey CLOMICLSUPDORN-UHFFFAOYSA-N
SMILES C1=2OC(=O)C=C(C2C=CC(=C1)OCC=1C=C(C)C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854231