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6-(Neopentyl)oxy-4-methylcoumarin

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

6-(Neopentyl)oxy-4-methylcoumarin
SpectraBase Compound ID 5BHCVb1xBif
InChI InChI=1S/C15H18O3/c1-10-7-14(16)18-13-6-5-11(8-12(10)13)17-9-15(2,3)4/h5-8H,9H2,1-4H3
InChIKey SCYAEHRXSWFPJE-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JFl78ZhCdfU
Name 6-(Neopentyl)oxy-4-methylcoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.125594437 u
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-10-7-14(16)18-13-6-5-11(8-12(10)13)17-9-15(2,3)4/h5-8H,9H2,1-4H3
InChIKey SCYAEHRXSWFPJE-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C1=C(C=C2C(=C1)OC(=O)C=C2C)OCC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914358