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Hexanoic acid ethyl ester
SpectraBase Compound ID mbtA9bTnjR
InChI InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77KAN2fVXcv
Name Caproate
CAS Registry Number 123-66-0
Classification Fatty esters; Fatty acid ethyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 144.115029753 u
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
Number of Peaks 50
RI2 642
RI4 997
RI5 667
SMILES C(CCCCC)(=O)OCC
SPLASH splash10-01w4-9000000000-a08d412b17025083eefa
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Hexanoic acid, ethyl ester Et. C6:0
Wiley ID LM_LIPIDS2016_97