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2-(3-Methoxyphenyl)-2-methyl-malonic acid diethyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-(3-Methoxyphenyl)-2-methyl-malonic acid diethyl ester
SpectraBase Compound ID 1SPjrm23cQ7
InChI InChI=1S/C15H20O5/c1-5-19-13(16)15(3,14(17)20-6-2)11-8-7-9-12(10-11)18-4/h7-10H,5-6H2,1-4H3
InChIKey NKUGBYXMRISNFE-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HwzGQoKECb
Name 2-(3-Methoxyphenyl)-2-methyl-malonic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.131073739 u
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-5-19-13(16)15(3,14(17)20-6-2)11-8-7-9-12(10-11)18-4/h7-10H,5-6H2,1-4H3
InChIKey NKUGBYXMRISNFE-UHFFFAOYSA-N
SMILES C(C=1C=C(OC)C=CC1)(C(=O)OCC)(C(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977128