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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KBvPO6vjOKv
Name Isoamyl octanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W208000
Lot Number 00525KI
CAS Registry Number 2035-99-6
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
Purity >=98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isoamyl caprylate
Technique Between salts
Wiley ID SIAL_FF-FTIR_000188