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Ethyl 6-ethyl-5-oxa-4-oxoundeca-2,7,9-trienoic acid ester

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

Ethyl 6-ethyl-5-oxa-4-oxoundeca-2,7,9-trienoic acid ester
SpectraBase Compound ID BLObtyMgkdE
InChI InChI=1S/C14H20O4/c1-4-7-8-9-12(5-2)18-14(16)11-10-13(15)17-6-3/h4,7-12H,5-6H2,1-3H3/b7-4+,9-8+,11-10+
InChIKey DVKITELKSVHFDI-XWXHWXBNSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IPRNPtBX9iv
Name Ethyl 6-ethyl-5-oxa-4-oxoundeca-2,7,9-trienoic acid ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.136159120 u
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-4-7-8-9-12(5-2)18-14(16)11-10-13(15)17-6-3/h4,7-12H,5-6H2,1-3H3/b7-4+,9-8+,11-10+
InChIKey DVKITELKSVHFDI-XWXHWXBNSA-N
Molecular Weight 252.310 g/mol
SMILES C(\C=C\C(=O)OCC)(=O)OC(\C=C\C=C\C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894116