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Phenethylmalonic acid, diethyl ester

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

Phenethylmalonic acid, diethyl ester
SpectraBase Compound ID 14iPeocKizE
InChI InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey LMFLGETWXFOVMQ-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Cx606vO14Xf
Name Phenethylmalonic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey LMFLGETWXFOVMQ-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C=1C(=CC=CC1)CCC(C(OCC)=O)C(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.993204