1,5,9-Cyclododecatriene, 3-butyl-, (E,E,E)-

SpectraBase Compound ID	2PpvMZri3Sc
InChI	InChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h4-5,10-12,14,16H,2-3,6-9,13,15H2,1H3/b5-4-,12-10-,14-11-
InChIKey	QQGVLPDWSBJPIZ-QQRZHNEISA-N Google Search
Mol Weight	218.38 g/mol
Molecular Formula	C16H26
Exact Mass	218.203451 g/mol

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SpectraBase Spectrum ID	LEnAtSE4zTU
Name	1,5,9-Cyclododecatriene, 3-butyl-, (E,E,E)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	218.203450837 u
Formula	C16H26
InChI	InChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h4-5,10-12,14,16H,2-3,6-9,13,15H2,1H3/b5-4-,12-10-,14-11-
InChIKey	QQGVLPDWSBJPIZ-QQRZHNEISA-N
Molecular Weight	218.384 g/mol
SMILES	C1\C=C/C(C\C=C/CC\C=C/C1)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.890503