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Propanedioic acid, (2-phenylethyl)-, dimethyl ester

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

Propanedioic acid, (2-phenylethyl)-, dimethyl ester
SpectraBase Compound ID Ls70bTASBFx
InChI InChI=1S/C13H16O4/c1-16-12(14)11(13(15)17-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey KYTXLTMZYOTSDM-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Bzm0u2vAgE0
Name Propanedioic acid, (2-phenylethyl)-, dimethyl ester
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/c1-16-12(14)11(13(15)17-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey KYTXLTMZYOTSDM-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C1(=CC=CC=C1)CCC(C(=O)OC)C(OC)=O
Spectrum/Structure Validation Score (Raman) 0.960774