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2-Salicylmalonic acid dimethyl ester

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

2-Salicylmalonic acid dimethyl ester
SpectraBase Compound ID E5ePXDW91oE
InChI InChI=1S/C12H14O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h3-6,9,13H,7H2,1-2H3
InChIKey SKFYEPVPPRLKMX-UHFFFAOYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DmNdPKM0hfH
Name 2-Salicylmalonic acid dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.084123546 u
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h3-6,9,13H,7H2,1-2H3
InChIKey SKFYEPVPPRLKMX-UHFFFAOYSA-N
Molecular Weight 238.239 g/mol
SMILES C=1(C(=CC=CC1)CC(C(=O)OC)C(=O)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918926