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5-Hydroxy-6-methyl-6-(5-methyl-2-furanyl)-2-heptanone
SpectraBase Compound ID 8rXuWekeC03
InChI InChI=1S/C13H20O3/c1-9(14)5-7-11(15)13(3,4)12-8-6-10(2)16-12/h6,8,11,15H,5,7H2,1-4H3
InChIKey ILLJDWWUTBHYJB-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdN93xtM6eB
Name 5-Hydroxy-6-methyl-6-(5-methyl-2-furanyl)-2-heptanone
CAS Registry Number 85198-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(14)5-7-11(15)13(3,4)12-8-6-10(2)16-12/h6,8,11,15H,5,7H2,1-4H3
InChIKey ILLJDWWUTBHYJB-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES OC(C(c1oc(C)cc1)(C)C)CCC(=O)C
SPLASH splash10-00di-2900000000-b8401919c798250d7cf8
Source of Spectrum H-65-2370-0
Synonyms 5-Hydroxy-6-methyl-6-(5-methyl-2-furyl)heptan-2-one 5-Hydroxy-6-methyl-6-(5-methylfuran-2-yl)heptan-2-one 6-Methyl-6-(5-methylfuran-2-yl)-5-oxidanyl-heptan-2-one
Wiley ID 1225212