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3-Tert-butyl-5-hydroxy-5-(4-methoxyphenyl)-4-methylfuran-2(5H)-one

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

3-Tert-butyl-5-hydroxy-5-(4-methoxyphenyl)-4-methylfuran-2(5H)-one
SpectraBase Compound ID 7j0JFyp7zYW
InChI InChI=1S/C16H20O4/c1-10-13(15(2,3)4)14(17)20-16(10,18)11-6-8-12(19-5)9-7-11/h6-9,18H,1-5H3
InChIKey AADZSZBCJAOHBA-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5OPZDCGhGIz
Name 3-Tert-butyl-5-hydroxy-5-(4-methoxyphenyl)-4-methylfuran-2(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-10-13(15(2,3)4)14(17)20-16(10,18)11-6-8-12(19-5)9-7-11/h6-9,18H,1-5H3
InChIKey AADZSZBCJAOHBA-UHFFFAOYSA-N
SMILES C1(OC(=O)C(=C1C)C(C)(C)C)(C=1C=CC(=CC1)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877596