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Diethyl 2-cyano-3-phenylpentanedioate

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

Diethyl 2-cyano-3-phenylpentanedioate
SpectraBase Compound ID 2t9mVBY7xSS
InChI InChI=1S/C16H19NO4/c1-3-20-15(18)10-13(12-8-6-5-7-9-12)14(11-17)16(19)21-4-2/h5-9,13-14H,3-4,10H2,1-2H3
InChIKey ZCZBNMHFVPJQKC-UHFFFAOYSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9tFs6jEckGF
Name Diethyl 2-cyano-3-phenylpentanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.131408092 u
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-3-20-15(18)10-13(12-8-6-5-7-9-12)14(11-17)16(19)21-4-2/h5-9,13-14H,3-4,10H2,1-2H3
InChIKey ZCZBNMHFVPJQKC-UHFFFAOYSA-N
SMILES C(C(C(CC(=O)OCC)C=1C=CC=CC1)C#N)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970768