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Octanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester

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

Octanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
SpectraBase Compound ID 6fVUz8iMonb
InChI InChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3
InChIKey OJKMRECJBIPPRG-UHFFFAOYSA-N
Mol Weight 280.5 g/mol
Molecular Formula C18H32O2
Exact Mass 280.24023 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 11HFCu14zWY
Name Octanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester; octanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.240230268 u
Formula C18H32O2
InChI InChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3
InChIKey OJKMRECJBIPPRG-UHFFFAOYSA-N
SMILES C(CCCCCCC)(OC(CCC=C(C)C)(C)C=C)=O
Spectrum/Structure Validation Score (Raman) 0.944431