For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(2-Acetyl-1-methyl-hexylidene)malonic acid diethyl ester

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

2-(2-Acetyl-1-methyl-hexylidene)malonic acid diethyl ester
SpectraBase Compound ID 7NZuoSPvpGd
InChI InChI=1S/C16H26O5/c1-6-9-10-13(12(5)17)11(4)14(15(18)20-7-2)16(19)21-8-3/h13H,6-10H2,1-5H3
InChIKey OEHXVICVWHAENU-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C16H26O5
Exact Mass 298.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3dSoHZ55x5S
Name 2-(2-Acetyl-1-methyl-hexylidene)malonic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.178023932 u
Formula C16H26O5
InChI InChI=1S/C16H26O5/c1-6-9-10-13(12(5)17)11(4)14(15(18)20-7-2)16(19)21-8-3/h13H,6-10H2,1-5H3
InChIKey OEHXVICVWHAENU-UHFFFAOYSA-N
SMILES C(C(=C(C(C(C)=O)CCCC)C)C(=O)OCC)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927431