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Octanoic acid, cyclohexyl ester

View entire compound with spectra: 3 MS (GC)

Octanoic acid, cyclohexyl ester
SpectraBase Compound ID 5wDFL6SYrHv
InChI InChI=1S/C14H26O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3
InChIKey TXWXLLMVRVKQSO-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3Zs2vuisT7
Name Octanoic acid, cyclohexyl ester
Alternate Name(s) Cyclohexyl octanoate caprylic acid cyclohexyl ester Octanoic acid cyclohexyl ester
CAS Registry Number 1551-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3
InChIKey TXWXLLMVRVKQSO-UHFFFAOYSA-N
Molecular Weight 226.360 g/mol
SMILES C1CCC(OC(=O)CCCCCCC)CC1
SPLASH splash10-0a6u-9000000000-b9fd63ce60c445f36e73
Wiley ID 1492686