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n-Amyl octanoate

View entire compound with spectra: 5 NMR, 8 FTIR, 1 Raman, and 10 MS (GC)

n-Amyl octanoate
SpectraBase Compound ID IHdyx8Gzy6F
InChI InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
InChIKey GJWGZSBNFSBUPX-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 76ZGmDyMGFY
Name Pentyl octanoate
CAS Registry Number 638-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
InChIKey GJWGZSBNFSBUPX-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES CCCCCCCC(=O)OCCCCC
SPLASH splash10-05fv-9300000000-3159c95c825eea9f58d3
Source of Spectrum W5-1989-34433-31103
Synonyms Amyl caprylate Amyl octanoate Amyl octoate Amyl octylate N-Amyl n-octanoate caprylic acid amyl ester n-Caprylic acid n-amyl ester Octanoic acid pentyl ester Pentyl octylate AI3-24295 EINECS 211-328-0 FEMA NO. 2079 NSC 23940
Wiley ID 1213890