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Hexyl isovalerate
SpectraBase Compound ID IQUub3qWwF7
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKey RSDDTPVXLMVLQE-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 1ij33lJo9df
Name Butanoate
Source of Sample SAFC Cat.no. W350001
CAS Registry Number 10032-13-0
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/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKey RSDDTPVXLMVLQE-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Number of Peaks 50
RI1 1243
RI2 921
RI3 854
RI4 810
RI5 1229
SMILES C(OC(CC(C)C)=O)CCCCC
SPLASH splash10-052o-9100000000-188f1dcce3a58643231a
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, 3-methyl-, hexyl ester
Wiley ID LM_FFNSC3_361