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Octanoic acid isopentyl ester
SpectraBase Compound ID 8t79e4yZSB1
InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
InChIKey XKWSWANXMRXDES-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 8Gj4Iw7Lu0O
Name Isoamylcaprylate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 214.193280075 u
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
InChIKey XKWSWANXMRXDES-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 214.349 g/mol
Nominal Mass 214 u
Quality 1000
Retention Index 1490
SMILES C(OCCC(C)C)(CCCCCCC)=O
SPLASH splash10-00di-9100000000-cd99a7b445fe2240b42b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Methylbutyl octanoat
Technique GC/MS
Wiley ID DD2024_030731