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Propionic acid, octyl ester

View entire compound with spectra: 8 NMR, 4 FTIR, and 6 MS (GC)

Propionic acid, octyl ester
SpectraBase Compound ID Iu8kgO5AVsz
InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
InChIKey CEQGYPPMTKWBIU-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZoxytZIk0N
Name Propanoic acid, octyl ester
Alternate Name(s) n-Octyl propanoate n-Octyl propionate Octyl propionate Octyl propanoate Nor-octyl propionate Propionic acid octyl ester Propionic acid, octyl ester Propanoic acid octyl ester AI3-33596 EINECS 205-548-6 FEMA NO. 2813
CAS Registry Number 142-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
InChIKey CEQGYPPMTKWBIU-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(CC)(=O)OCCCCCCCC
SPLASH splash10-0c30-9100000000-26f56e2f93bbf3b50d31
Source of Spectrum JX-2015-6-3467
Wiley ID 1728576