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(E)-diethyl 5-methylene-3-phenylhex-2-enedioate

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

(E)-diethyl 5-methylene-3-phenylhex-2-enedioate
SpectraBase Compound ID G4ALaXsTvAF
InChI InChI=1S/C17H20O4/c1-4-20-16(18)12-15(14-9-7-6-8-10-14)11-13(3)17(19)21-5-2/h6-10,12H,3-5,11H2,1-2H3/b15-12+
InChIKey PSHGLEOEIWNKFB-NTCAYCPXSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1NsqDbcqi9G
Name (E)-Diethyl 5-methylene-3-phenylhex-2-enedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.136159120 u
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-4-20-16(18)12-15(14-9-7-6-8-10-14)11-13(3)17(19)21-5-2/h6-10,12H,3-5,11H2,1-2H3/b15-12+
InChIKey PSHGLEOEIWNKFB-NTCAYCPXSA-N
SMILES C=1C=C(\C(CC(C(OCC)=O)=C)=C\C(OCC)=O)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920929