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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 cALbXvBgE3
Name n-octanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 GC-5975 MS
Ionization Type EI
Literature Reference DOI 10.1021/np100640f
Molecular Weight 144.214 g/mol
SMILES OC(CCCCCCC)=O
SPLASH splash10-03kc-9000000000-a345bf099681acd7d2a2
Source of Spectrum G4-74-627-627-7
Wiley ID 1849084