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4-(Hex-1-yn-1-yl)-5-isopropylfuran-2(5H)-one
SpectraBase Compound ID GV6e7cADB5s
InChI InChI=1S/C13H18O2/c1-4-5-6-7-8-11-9-12(14)15-13(11)10(2)3/h9-10,13H,4-6H2,1-3H3
InChIKey NJDJNZGWLDYEFG-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZsv2cu6eHX
Name 4-(Hex-1-yn-1-yl)-5-isopropylfuran-2(5H)-one
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-4-5-6-7-8-11-9-12(14)15-13(11)10(2)3/h9-10,13H,4-6H2,1-3H3
InChIKey NJDJNZGWLDYEFG-UHFFFAOYSA-N
Instrument Name JEOL AccuTOF GCx or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201902213
Molecular Weight 206.285 g/mol
Quality 20
Reported Formula C13H18O2
SMILES C(#CCCCC)C1=CC(OC1C(C)C)=O
SPLASH splash10-03di-0910000000-b960f89008eb8b8e10b8
Source of Spectrum QE-25-SM29-3n (DOI: 10.1002/chem.201902213)
Thin-Layer Chromatography 0.40 (PE/EA, 20:1)
Wiley ID 1893870