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Diethylmalonic acid, pentyl phenethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, pentyl phenethyl ester
SpectraBase Compound ID 87MSBKVu17Q
InChI InChI=1S/C20H30O4/c1-4-7-11-15-23-18(21)20(5-2,6-3)19(22)24-16-14-17-12-9-8-10-13-17/h8-10,12-13H,4-7,11,14-16H2,1-3H3
InChIKey VIAOVMFLCASKOM-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9vsEj5vOkXf
Name Diethylmalonic acid, pentyl phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-4-7-11-15-23-18(21)20(5-2,6-3)19(22)24-16-14-17-12-9-8-10-13-17/h8-10,12-13H,4-7,11,14-16H2,1-3H3
InChIKey VIAOVMFLCASKOM-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES CCC(C(OCCCCC)=O)(C(OCCC1=CC=CC=C1)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978066