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ETHYL-HEX-2-ENOATE
SpectraBase Compound ID 7fdHbCJKQGm
InChI InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey SJRXWMQZUAOMRJ-VOTSOKGWSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2anDrYZOXuS
Name Hex-(2E)-enoate
CAS Registry Number 27829-72-7
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 142.099379689 u
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey SJRXWMQZUAOMRJ-VOTSOKGWSA-N
Molecular Weight 142.198 g/mol
Number of Peaks 50
RI2 756
RI4 1041
RI5 713
SMILES C(\C=C\CCC)(=O)OCC
SPLASH splash10-052b-9000000000-e3008aaf77fb87db90ee
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-Hexenoic acid, ethyl ester, (2E)-
Wiley ID LM_LIPIDS2016_383