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Octanoic acid isopentyl ester

View entire compound with spectra: 4 NMR, 6 FTIR, and 17 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 95a1Y7ibKjD
Name Isoamyl octanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W208019
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
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
Observed nucleus 13C
Purity >=98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isoamyl caprylate
Wiley ID SIAL_13CNMR_015240