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Diethyl 3-(2-phenylethylidene)-2-hydroxybutanedioate

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

Diethyl 3-(2-phenylethylidene)-2-hydroxybutanedioate
SpectraBase Compound ID 9VLYPxoxcAM
InChI InChI=1S/C16H20O5/c1-3-20-15(18)13(14(17)16(19)21-4-2)11-10-12-8-6-5-7-9-12/h5-9,11,14,17H,3-4,10H2,1-2H3/b13-11-
InChIKey CLERODLAQCRASA-QBFSEMIESA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E9W9tFEedGh
Name Diethyl 3-(2-phenylethylidene)-2-hydroxybutanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.131073739 u
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-3-20-15(18)13(14(17)16(19)21-4-2)11-10-12-8-6-5-7-9-12/h5-9,11,14,17H,3-4,10H2,1-2H3/b13-11-
InChIKey CLERODLAQCRASA-QBFSEMIESA-N
SMILES C(\C=C\(C(C(=O)OCC)O)C(=O)OCC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965262