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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 93rj5pVuyCy
Name OCTANOIC ACID, 3-METHYLBUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Molecular Weight 214.349 g/mol
Nominal Mass 214 u
Number of Peaks 57
SMILES C(CC)CCCCC(OCCC(C)C)=O
SPLASH splash10-05i3-9100000000-7bf094f6862503dc73ce
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_000182