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Octanoic acid, oct-3-en-2-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Octanoic acid, oct-3-en-2-yl ester
SpectraBase Compound ID HuKPoHBMBvC
InChI InChI=1S/C16H30O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+
InChIKey YLCXQAGJQBBVIX-ACCUITESSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9AnzvOWMRPT
Name Octanoic acid, oct-3-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+
InChIKey YLCXQAGJQBBVIX-ACCUITESSA-N
Molecular Weight 254.414 g/mol
SMILES CCCCCCCC(OC(\C=C\CCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984774