Methyl 2-[(E,E,E)-1,7,11-Trimethylcyclotetradeca-2,7,11-trienyl]acetate

SpectraBase Compound ID	12u0XZYvTmi
InChI	InChI=1S/C20H32O2/c1-17-10-6-5-7-14-20(3,16-19(21)22-4)15-9-13-18(2)12-8-11-17/h7,11,13-14H,5-6,8-10,12,15-16H2,1-4H3/b14-7+,17-11+,18-13+
InChIKey	LGAOQQAFLOZERD-GVXFGYANSA-N Google Search
Mol Weight	304.5 g/mol
Molecular Formula	C20H32O2
Exact Mass	304.24023 g/mol

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SpectraBase Spectrum ID	HASRqjj2lRz
Name	(4E,8E,13E)-Methyl 1,5,9-trimethylcyclotetradecatrieneacetate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	304.240230268 u
Formula	C20H32O2
InChI	InChI=1S/C20H32O2/c1-17-10-6-5-7-14-20(3,16-19(21)22-4)15-9-13-18(2)12-8-11-17/h7,11,13-14H,5-6,8-10,12,15-16H2,1-4H3/b14-7+,17-11+,18-13+
InChIKey	LGAOQQAFLOZERD-GVXFGYANSA-N
Molecular Weight	304.474 g/mol
SMILES	C1\C=C\C(CC\C=C\(CC\C=C\(CC1)C)C)(CC(=O)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.975474