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Hexadeca-1,2,14,15-tetraen-4,13-dione

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Hexadeca-1,2,14,15-tetraen-4,13-dione
SpectraBase Compound ID F80AlbIGyoq
InChI InChI=1S/C16H22O2/c1-3-11-15(17)13-9-7-5-6-8-10-14-16(18)12-4-2/h11-12H,1-2,5-10,13-14H2
InChIKey SRACCWKIHSVGPJ-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LUmnxhnxNn2
Name Hexadeca-1,2,14,15-tetraen-4,13-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-3-11-15(17)13-9-7-5-6-8-10-14-16(18)12-4-2/h11-12H,1-2,5-10,13-14H2
InChIKey SRACCWKIHSVGPJ-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES C=C=CC(CCCCCCCCC(C=C=C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940733