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Hexyl propionate
SpectraBase Compound ID JrSlMuMGIUZ
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
InChIKey GOKKOFHHJFGZHW-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1l3EbXmOSL5
Name Propionate
Source of Sample SAFC Cat.no. W257605
CAS Registry Number 2445-76-3
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 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
InChIKey GOKKOFHHJFGZHW-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
Number of Peaks 50
RI1 1106
RI2 781
RI3 746
RI4 701
SMILES CCCCCCOC(CC)=O
SPLASH splash10-0a4l-9000000000-8cdb4aa75669b88fec94
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 Propanoic acid, hexyl ester
Wiley ID LM_FFNSC3_445