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Octanoic acid
SpectraBase Compound ID G1ZImFV0PsC
InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey WWZKQHOCKIZLMA-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77WQIzwrfLH
Name Octanoic acid
Source of Sample SAFC Cat.no. W279900
CAS Registry Number 124-07-2
Comments Generally Recognized as Safe; NTIS Accession Number: PB254530
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 144.115029753 u
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey WWZKQHOCKIZLMA-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
Number of Peaks 39
RI1 1192
RI2 870
RI3 1058
RI4 1014
RI5 1196
SMILES OC(CCCCCCC)=O
SPLASH splash10-01vo-9000000000-e73c436c15bba6cf3ae0
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 Octanoic acid
Wiley ID LM_FFNSC3_652