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Hexyl 2-methyl butanoate
SpectraBase Compound ID 6WNHoU63hLi
InChI InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
InChIKey YUECNVSODFDKOQ-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDcNjurpgDz
Name Butanoate <2-methyl-, hexyl->
Source of Sample SAFC Cat.no. W349909
CAS Registry Number 10032-15-2
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 186.161979946 u
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
InChIKey YUECNVSODFDKOQ-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Number of Peaks 50
RI1 1239
RI2 917
RI3 840
RI4 795
SMILES C(C(CC)C)(=O)OCCCCCC
SPLASH splash10-014l-9000000000-687913ba300c6511873c
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-, hexyl ester
Wiley ID LM_FFNSC3_228