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(E,E)-Heptadeca-5,7-dien-10-yn-9-one

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

(E,E)-Heptadeca-5,7-dien-10-yn-9-one
SpectraBase Compound ID 6atw5W2eCym
InChI InChI=1S/C17H26O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12H2,1-2H3/b11-9+,15-13+
InChIKey YZRMSNLOTCZUDO-PXELCPQFSA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AVyA4y12RAU
Name (E,E)-Heptadeca-5,7-dien-10-yn-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.198365456 u
Formula C17H26O
InChI InChI=1S/C17H26O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12H2,1-2H3/b11-9+,15-13+
InChIKey YZRMSNLOTCZUDO-PXELCPQFSA-N
Molecular Weight 246.394 g/mol
SMILES CCCC\C=C\C=C\C(C#CCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978451