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Diethyl 2-[(2E,5Z)-5-methylhepta-2,5-dienyl]malonate

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

Diethyl 2-[(2E,5Z)-5-methylhepta-2,5-dienyl]malonate
SpectraBase Compound ID D15OSWohjbN
InChI InChI=1S/C15H24O4/c1-5-12(4)10-8-9-11-13(14(16)18-6-2)15(17)19-7-3/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-8+,12-5-
InChIKey PBMKZLGIYRNUTJ-OTTRDGPLSA-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 KU7lBfnugfg
Name Diethyl 2-[(2E,5Z)-5-methylhepta-2,5-dienyl]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/c1-5-12(4)10-8-9-11-13(14(16)18-6-2)15(17)19-7-3/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-8+,12-5-
InChIKey PBMKZLGIYRNUTJ-OTTRDGPLSA-N
Molecular Weight 268.353 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C\C=C\C\C(=C/C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9872