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butyric acid, heptyl ester
SpectraBase Compound ID zwFZfOW6N5
InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChIKey JPQHLIYIQARLQM-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 FjWpxk7lDZF
Name Butyrate
Source of Sample SAFC Cat. #W254908
CAS Registry Number 5870-93-9
Classification Pheromones
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/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChIKey JPQHLIYIQARLQM-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Number of Peaks 78
RI1 1293
SMILES CCCCCCCOC(=O)CCC
SPLASH splash10-05g3-9000000000-3e5d3b3d5f33dc9b79b4
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Butanoic acid, heptyl ester
Wiley ID LM_PEST_1169