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Octanoic acid, t-butyl ester

View entire compound with spectra: 2 MS (GC)

Octanoic acid, t-butyl ester
SpectraBase Compound ID 85QknPryP9s
InChI InChI=1S/C12H24O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h5-10H2,1-4H3
InChIKey BRHAUGJKIFZHDU-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 BOQ7HgPSzQP
Name Octanoic acid, t-butyl ester
Alternate Name(s) caprylic acid tert-butyl ester Octanoic acid tert-butyl ester Octanoic acid, 1,1-dimethylethyl ester tert-Butyl octanoate
CAS Registry Number 5457-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h5-10H2,1-4H3
InChIKey BRHAUGJKIFZHDU-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES C(=O)(CCCCCCC)OC(C)(C)C
SPLASH splash10-0a4i-9300000000-aadd4ecd414f3539eef2
Wiley ID 1491286