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(2R*,3S*,4R*)-2-Butyl-3-hydroxy-4-methyl-4-butanolide
SpectraBase Compound ID L0g9QVepnzb
InChI InChI=1S/C9H16O3/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKey LLALEXXCKCFLES-BWZBUEFSSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHAgzeT6kkN
Name (2R*,3S*,4R*)-2-Butyl-3-hydroxy-4-methyl-4-butanolide
Alternate Name(s) (3R,4S,5R)-3-butyl-4-hydroxy-5-methyloxolan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKey LLALEXXCKCFLES-BWZBUEFSSA-N
Molecular Weight 172.224 g/mol
SMILES O[C@]1([C@](C(O[C@@]1(C)[H])=O)(CCCC)[H])[H]
SPLASH splash10-0600-9700000000-7cbaba74b65604fe31e1
Source of Spectrum J-58-2951-18
Wiley ID 1168813