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Hexenyl 2-methyl butanoate <(3E)->
SpectraBase Compound ID 7vjcQybstV8
InChI InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKey JKKGTSUICJWEKB-VOTSOKGWSA-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 HsrgdBZNc2L
Name 3-Hexenyl 2-methylbutyrate
CAS Registry Number 10094-41-4
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/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKey JKKGTSUICJWEKB-VOTSOKGWSA-N
Molecular Weight 184.279 g/mol
Number of Peaks 50
RI1 1235
RI2 913
RI3 896
RI4 851
RI5 1221
SMILES CC(C(=O)OCC\C=C\CC)CC
SPLASH splash10-0api-9000000000-ea3168e6d272e46144e6
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 Butanoic acid, 2-methyl-, 3-hexen-1-yl ester
Wiley ID LM_FFNSC3_3128