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

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

6-(2-Methylpropyl)oxy-4-methylcoumarin
SpectraBase Compound ID BP7vGI9fZZM
InChI InChI=1S/C14H16O3/c1-9(2)8-16-11-4-5-13-12(7-11)10(3)6-14(15)17-13/h4-7,9H,8H2,1-3H3
InChIKey VSVTZKNHHAPERJ-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 Dw4T5ZnBHgl
Name 6-(2-Methylpropyl)oxy-4-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)8-16-11-4-5-13-12(7-11)10(3)6-14(15)17-13/h4-7,9H,8H2,1-3H3
InChIKey VSVTZKNHHAPERJ-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1=C(C=C2C(=C1)OC(=O)C=C2C)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887083