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Hexanoic acid pentyl ester

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, and 14 MS (GC)

Hexanoic acid pentyl ester
SpectraBase Compound ID GQcKFT1ZQf3
InChI InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
InChIKey WRFZKAGPPQGDDQ-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HIKKtWoxCSo
Name Amyl hexanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W207403
Lot Number 01618ME
CAS Registry Number 540-07-8
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
InChIKey WRFZKAGPPQGDDQ-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Purity >=98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms n-Pentyl hexanoate; Amyl caproate; Hexanoic acid pentyl ester; NSC 46119; NSC 53794; Pentyl caproate
Wiley ID SIAL_FF-FTIR_000181