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Methyl 2-hydroxy-2-(4'-methoxyphenyl)-3-methylbutanoate

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

Methyl 2-hydroxy-2-(4'-methoxyphenyl)-3-methylbutanoate
SpectraBase Compound ID 5h2O2zNAza6
InChI InChI=1S/C13H18O4/c1-9(2)13(15,12(14)17-4)10-5-7-11(16-3)8-6-10/h5-9,15H,1-4H3
InChIKey SPWNWYNFVYPSAR-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5vingjShA2m
Name Methyl 2-hydroxy-2-(4'-methoxyphenyl)-3-methylbutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.120509056 u
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-9(2)13(15,12(14)17-4)10-5-7-11(16-3)8-6-10/h5-9,15H,1-4H3
InChIKey SPWNWYNFVYPSAR-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C(C(C(C)C)(C=1C=CC(=CC1)OC)O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924876