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3-Hydroxy-6-methyl-6-(5-methyl-2-furyl)-2-heptanone
SpectraBase Compound ID 3sfGDOAQxl5
InChI InChI=1S/C13H20O3/c1-9-5-6-12(16-9)13(3,4)8-7-11(15)10(2)14/h5-6,11,15H,7-8H2,1-4H3
InChIKey OWPVOFSLXUPUHB-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 EKrGKGCNeqF
Name 3-Hydroxy-6-methyl-6-(5-methyl-2-furyl)-2-heptanone
CAS Registry Number 78091-90-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-5-6-12(16-9)13(3,4)8-7-11(15)10(2)14/h5-6,11,15H,7-8H2,1-4H3
InChIKey OWPVOFSLXUPUHB-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES OC(CCC(c1ccc(C)o1)(C)C)C(=O)C
SPLASH splash10-00di-5900000000-c35aafca82ba3be3cea8
Synonyms 2-Heptanone, 3-hydroxy-6-methyl-6-(5-methyl-2-furanyl)- 3-Hydroxy-6-methyl-6-(5-methyl-2-furanyl)-2-heptanone 3-Hydroxy-6-methyl-6-(5-methyl-2-furyl)heptan-2-one 3-Hydroxy-6-methyl-6-(5-methylfuran-2-yl)heptan-2-one 6-Methyl-6-(5-methylfuran-2-yl)-3-oxidanyl-heptan-2-one
Wiley ID 1489979