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Propanedioic acid, methyl(2-methylphenyl)-, diethyl ester

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

Propanedioic acid, methyl(2-methylphenyl)-, diethyl ester
SpectraBase Compound ID 1qqNBU9BZ7m
InChI InChI=1S/C15H20O4/c1-5-18-13(16)15(4,14(17)19-6-2)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKey VUDNMUURFHAVNF-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ChW6v0UUaMv
Name Propanedioic acid, methyl(2-methylphenyl)-, 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/c1-5-18-13(16)15(4,14(17)19-6-2)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKey VUDNMUURFHAVNF-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(C=1C(C)=CC=CC1)(C(=O)OCC)(C(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976048