For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4S,5R,6S)-5-Hydroxy-4,6-dimethyloctan-3-one
SpectraBase Compound ID KHYz6rmaDqH
InChI InChI=1S/C10H20O2/c1-5-7(3)10(12)8(4)9(11)6-2/h7-8,10,12H,5-6H2,1-4H3/t7-,8+,10+/m1/s1
InChIKey JDLBYTLZSONDPP-WEDXCCLWSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2UU8m1HMr8P
Name (4S,5R,6S)-5-Hydroxy-4,6-dimethyloctan-3-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-5-7(3)10(12)8(4)9(11)6-2/h7-8,10,12H,5-6H2,1-4H3/t7-,8+,10+/m1/s1
InChIKey JDLBYTLZSONDPP-WEDXCCLWSA-N
Instrument Name Agilent 7890A/Agilent 5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.9
Molecular Weight 172.268 g/mol
Optical Rotation [a]D 20 = +1.8 (c 0.7, ethanol)
SMILES O[C@@]([C@@](CC)(C)[H])([C@](C(CC)=O)(C)[H])[H]
SPLASH splash10-0a4r-9100000000-d61d2ba622243f5d5b2c
Source of Spectrum BJO-14-SM23-11d
Thin-Layer Chromatography Rf = 0.33 (hexane/ethyl acetate, 5:1)
Wiley ID 1843515