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(2E)-2-Hexenyl pentanoate
SpectraBase Compound ID AKgczOwGLEr
InChI InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKey WDXAMNXWZLXISB-BQYQJAHWSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yAtZ9tZrVO
Name Pentanoate
CAS Registry Number 56922-74-8
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 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKey WDXAMNXWZLXISB-BQYQJAHWSA-N
Molecular Weight 184.279 g/mol
Number of Peaks 50
RI1 1290
RI2 968
RI3 978
RI4 936
SMILES CCC\C=C\COC(CCCC)=O
SPLASH splash10-0a4r-9000000000-2dd2a316fcf6d850fe8d
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Pentanoic acid, (2E)-2-hexenyl ester
Wiley ID LM_FFNSC3_1361