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2-Methylbutyl octanoate
SpectraBase Compound ID Lucyy4ABvsi
InChI InChI=1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey XZLBJDGPIWDVIJ-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 Id9Y2X5qwuD
Name 2-Methylbutyl octanoate
CAS Registry Number 67121-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey XZLBJDGPIWDVIJ-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES CC(COC(CCCCCCC)=O)CC
SPLASH splash10-00dl-9100000000-3bd2fd58e8f6a584ed44
Source of Spectrum LQ-1992-1749-0
Synonyms caprylic acid 2-methylbutyl ester Octanoic acid 2-methylbutyl ester
Wiley ID 1213895