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Ethyl sorbate
SpectraBase Compound ID 2XW7epdi6cU
InChI InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
InChIKey OZZYKXXGCOLLLO-TWTPFVCWSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQ9wMeWLClF
Name Sorbate
Source of Sample SAFC Cat. #W245909
CAS Registry Number 2396-84-1
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 140.083729624 u
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
InChIKey OZZYKXXGCOLLLO-TWTPFVCWSA-N
Molecular Weight 140.182 g/mol
Number of Peaks 50
RI2 913
RI4 1102
RI5 777
SMILES C(\C=C\C=C\C)(=O)OCC
SPLASH splash10-00ke-9100000000-db3b49bfd8cdbbbb10d8
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 2,4-Hexadienoic acid, ethyl ester, (2E,4E)-
Wiley ID LM_LIPIDS2016_380