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2-(2-Methoxy-2-phenyl-ethyl)malonic acid dimethyl ester
SpectraBase Compound ID 4boU62YG4eI
InChI InChI=1S/C14H18O5/c1-17-12(10-7-5-4-6-8-10)9-11(13(15)18-2)14(16)19-3/h4-8,11-12H,9H2,1-3H3
InChIKey KIGONRRMWDVURM-UHFFFAOYSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lhr6DqILoxS
Name 2-(2-Methoxy-2-phenyl-ethyl)malonic acid dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.115423675 u
Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-17-12(10-7-5-4-6-8-10)9-11(13(15)18-2)14(16)19-3/h4-8,11-12H,9H2,1-3H3
InChIKey KIGONRRMWDVURM-UHFFFAOYSA-N
Molecular Weight 266.293 g/mol
SMILES C(C(C(=O)OC)CC(C=1C=CC=CC1)OC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975296