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Octanoic acid ethyl ester
SpectraBase Compound ID H2hnqjDCsny
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey YYZUSRORWSJGET-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3z1iMF8ql7
Name Caprylate
CAS Registry Number 106-32-1
Classification Fatty esters; Fatty acid ethyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey YYZUSRORWSJGET-UHFFFAOYSA-N
Number of Peaks 50
RI2 845
RI4 1195
RI5 874
SMILES C(CCCCCCC)(=O)OCC
SPLASH splash10-059l-9200000000-60dbf6cfbdd71416df4d
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Octanoic acid, ethyl ester Et. C8:0
Wiley ID LM_LIPIDS2016_98