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4-Hydroxy-3-methyl-6-pentan-2-yl-5,6-dihydro-2H-pyran-2-one
SpectraBase Compound ID 5c7KBNsUhNr
InChI InChI=1S/C11H18O3/c1-4-5-7(2)10-6-9(12)8(3)11(13)14-10/h7,10,12H,4-6H2,1-3H3
InChIKey KRUDNFFPFXHFHQ-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bqPAbwdovG
Name 4-Hydroxy-3-methyl-6-pentan-2-yl-5,6-dihydro-2H-pyran-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-4-5-7(2)10-6-9(12)8(3)11(13)14-10/h7,10,12H,4-6H2,1-3H3
InChIKey KRUDNFFPFXHFHQ-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911636
Molecular Weight 198.262 g/mol
SMILES OC=1CC(OC(C1C)=O)C(C)CCC
SPLASH splash10-004i-9600000000-97f8c07eb544a72b1a3d
Sample Comments mixture of stereoisomers
Source of Spectrum ACI-59-1126-3
Thin-Layer Chromatography Rf = 0.22 (25%EtOAc/hexanes)
Wiley ID 1858109