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Phenylmalonic acid, diethyl ester

View entire compound with spectra: 8 NMR, 5 FTIR, 1 Raman, 7 MS (GC), and 2 Near IR

Phenylmalonic acid, diethyl ester
SpectraBase Compound ID DLTnjS0bbC9
InChI InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey FGYDHYCFHBSNPE-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 51Ysn8CsYD4
Name Diethyl phenylmalonate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 111996
CAS Registry Number 83-13-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey FGYDHYCFHBSNPE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_000345