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Octanoic acid

View entire compound with spectra: 11 NMR, 25 FTIR, 2 Raman, 41 MS (GC), and 2 Near IR

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 4P7Au7ZIVw
Name Octanoic acid
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
Instrument Name Agilent 6890-5973N
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4205
Molecular Weight 144.214 g/mol
Number of Peaks 10
SMILES OC(CCCCCCC)=O
SPLASH splash10-006x-9000000000-e94e59b486f341ed3cd3
Source of Spectrum SFA-91-454-Octanoic acid (DOI: 10.1002/jsfa.4205)
Wiley ID 1838686