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Tert-butyl-2-(4-methoxyphenyl)-2-oxoacetate

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

Tert-butyl-2-(4-methoxyphenyl)-2-oxoacetate
SpectraBase Compound ID LVBvPAjltEm
InChI InChI=1S/C13H16O4/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9/h5-8H,1-4H3
InChIKey JXNQUSHTRPPMNS-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6b4gzn5sSiX
Name Tert-butyl-2-(4-methoxyphenyl)-2-oxoacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9/h5-8H,1-4H3
InChIKey JXNQUSHTRPPMNS-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C=1C=C(C=CC1OC)C(C(=O)OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93655