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Octanoic acid butyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 8 MS (GC)

Octanoic acid butyl ester
SpectraBase Compound ID E5PEhZdAAo0
InChI InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3
InChIKey PSXNDMJWRZYVTM-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rCHkEJ9MXt
Name Butyl octanoate
Alternate Name(s) Butyl caprylate caprylic acid butyl ester Caprylic acid n-butyl ester n-Butyl n-octanoate n-Butylcaprylate n-Caprylic acid n-butyl ester Octanoic acid butyl ester AI3-30983 EINECS 209-659-0 NSC 23740
CAS Registry Number 589-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3
InChIKey PSXNDMJWRZYVTM-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CCCCCCCC(=O)OCCCC
SPLASH splash10-0a4i-9300000000-ab677923d4c6f4762f12
Source of Spectrum PR-877-0-0
Wiley ID 1198032