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Octanoic acid 2,2-dimethylpropyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Octanoic acid 2,2-dimethylpropyl ester
SpectraBase Compound ID DPHOGXzl1nI
InChI InChI=1S/C13H26O2/c1-5-6-7-8-9-10-12(14)15-11-13(2,3)4/h5-11H2,1-4H3
InChIKey LDYUQAGCEKANHH-UHFFFAOYSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yvNx3vsPxT
Name Neopentyl octanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-5-6-7-8-9-10-12(14)15-11-13(2,3)4/h5-11H2,1-4H3
InChIKey LDYUQAGCEKANHH-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES CCCCCCCC(OCC(C)(C)C)=O
SPLASH splash10-05bf-9100000000-7244036051c6617530e7
Source of Spectrum NP-4-9543-0
Synonyms Octanoic acid, 2,2-dimethylpropyl ester Octanoic acid 2,2-dimethylpropyl ester 2,2-Dimethylpropyl octanoate
Wiley ID 1104432