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3-Octylfuran
SpectraBase Compound ID DX4dZIhwPz
InChI InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChIKey LMGDEHRCTAVQBA-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRz9Eqjt7td
Name 3-Octylfuran
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
GC Column Macherey-Nagel OPTIMA1 or Macherey-Nagel OPTIMA5 (25 m x 0.2 mm or 30 m x 0.25 mm, film thickness 0.35 micrometer or 0.25 micrometer)
InChI InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChIKey LMGDEHRCTAVQBA-UHFFFAOYSA-N
Instrument Name 5895 series II or HP6890-HP5970A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404903
Molecular Weight 180.291 g/mol
Quality 185
SMILES C(CCCCCCC)C1=COC=C1
SPLASH splash10-001i-9000000000-b16af9efc8e378b1455f
Source of Spectrum QE-21-SM7-9 (DOI: 10.1002/chem.201404903)
Thin-Layer Chromatography 0.39 (SiO2, n-pentane)
Wiley ID 1907003