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3-[2(E)-penten-1-yl]-5(E)-octen-2-one

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

3-[2(E)-penten-1-yl]-5(E)-octen-2-one
SpectraBase Compound ID IDF3d4UrLkW
InChI InChI=1S/C13H22O/c1-4-6-8-10-13(12(3)14)11-9-7-5-2/h6-9,13H,4-5,10-11H2,1-3H3/b8-6+,9-7+
InChIKey WKGHCONGFPAWEA-CDJQDVQCSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BdkfE263CUD
Name 3-[2(E)-Penten-1-yl]-5(E)-octen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-6-8-10-13(12(3)14)11-9-7-5-2/h6-9,13H,4-5,10-11H2,1-3H3/b8-6+,9-7+
InChIKey WKGHCONGFPAWEA-CDJQDVQCSA-N
Molecular Weight 194.318 g/mol
SMILES C(=O)(C(C\C=C\CC)C\C=C\CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813531