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(6E,8E)-Heptadeca-1,8,10-triene-3-one
SpectraBase Compound ID 8GhBOKJXlcZ
InChI InChI=1S/C17H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-12H,2-3,5-8,13-16H2,1H3/b10-9+,12-11+
InChIKey YSAWPRMJPMURDV-HULFFUFUSA-N
Mol Weight 248.41 g/mol
Molecular Formula C17H28O
Exact Mass 248.214016 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HGsdVLsY8SR
Name (6E,8E)-Heptadeca-1,8,10-triene-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.214015521 u
Formula C17H28O
InChI InChI=1S/C17H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-12H,2-3,5-8,13-16H2,1H3/b10-9+,12-11+
InChIKey YSAWPRMJPMURDV-HULFFUFUSA-N
Molecular Weight 248.410 g/mol
SMILES C(\C=C\C=C\CCCCC(C=C)=O)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985069
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