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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 GWX0Up5mRNI
Name Octanoic acid
CAS Registry Number 124-07-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 144.214 g/mol
Nominal Mass 144 u
Quality 978
Retention Index 990
SMILES OC(CCCCCCC)=O
SPLASH splash10-03kc-9100000000-f3425a211e4992ad8baf
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Caprylic acid
Technique GC/MS
Wiley ID DD2024_028051