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1-(5-Butyl-2-methylfuran-3-yl)-hexan-1-one
SpectraBase Compound ID 6Ex5UTtLlH3
InChI InChI=1S/C15H24O2/c1-4-6-8-10-15(16)14-11-13(9-7-5-2)17-12(14)3/h11H,4-10H2,1-3H3
InChIKey NSTPTQXUWKLEEL-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHFP8O5faY4
Name 1-(5-Butyl-2-methylfuran-3-yl)-hexan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-4-6-8-10-15(16)14-11-13(9-7-5-2)17-12(14)3/h11H,4-10H2,1-3H3
InChIKey NSTPTQXUWKLEEL-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo400533j
Molecular Weight 236.355 g/mol
Quality 200
SMILES C=1(OC(=C(C1)C(CCCCC)=O)C)CCCC
SPLASH splash10-015i-0900000000-2738d1678b426354cca7
Source of Spectrum JOC-78-4926-5f (DOI: 10.1021/jo400533j)
Wiley ID 1912141