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(7E,9E)-6-Oxo-7,9-hexadecadiene

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

(7E,9E)-6-Oxo-7,9-hexadecadiene
SpectraBase Compound ID 9IjBryIuF7Y
InChI InChI=1S/C16H28O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h10-11,13,15H,3-9,12,14H2,1-2H3/b11-10+,15-13+
InChIKey FPYDPPKABIBHGC-KZTCSYITSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IAfZzUQmkQa
Name (7E,9E)-6-oxo-7,9-Hexadecadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.214015521 u
Formula C16H28O
InChI InChI=1S/C16H28O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h10-11,13,15H,3-9,12,14H2,1-2H3/b11-10+,15-13+
InChIKey FPYDPPKABIBHGC-KZTCSYITSA-N
Molecular Weight 236.399 g/mol
SMILES C(\C=C\C=C\C(=O)CCCCC)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988864