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Diethyl 2-(6Z,4E)-2-(octa-4,6-dien-1-yl)malonate

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

Diethyl 2-(6Z,4E)-2-(octa-4,6-dien-1-yl)malonate
SpectraBase Compound ID 7jrlSdvVd1O
InChI InChI=1S/C15H24O4/c1-4-7-8-9-10-11-12-13(14(16)18-5-2)15(17)19-6-3/h4,7-9,13H,5-6,10-12H2,1-3H3/b7-4-,9-8+
InChIKey JQVGLVQKYJRNAS-NKUJDFQBSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GBFCWRwkVlG
Name Diethyl 2-(6Z,4E)-2-(octa-4,6-dien-1-yl)malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.167459249 u
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-4-7-8-9-10-11-12-13(14(16)18-5-2)15(17)19-6-3/h4,7-9,13H,5-6,10-12H2,1-3H3/b7-4-,9-8+
InChIKey JQVGLVQKYJRNAS-NKUJDFQBSA-N
Molecular Weight 268.353 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCC\C=C\C=C/C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986337