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4-(2-Methylpropyl)oxy-6-methylcoumarin

View entire compound with spectra: 1 FTIR

4-(2-Methylpropyl)oxy-6-methylcoumarin
SpectraBase Compound ID FpGTVUBeG85
InChI InChI=1S/C14H16O3/c1-9(2)8-16-13-7-14(15)17-12-5-4-10(3)6-11(12)13/h4-7,9H,8H2,1-3H3
InChIKey MCGMKGPMOAELIL-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HUSun4Mq8jk
Name 4-(2-Methylpropyl)oxy-6-methylcoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.109944372 u
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-9(2)8-16-13-7-14(15)17-12-5-4-10(3)6-11(12)13/h4-7,9H,8H2,1-3H3
InChIKey MCGMKGPMOAELIL-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1=C(C)C=C2C(=C1)OC(=O)C=C2OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866429