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(3R,4R,5R)-3-butyl-4-hydroxy-5-methyl-2-oxolanone
SpectraBase Compound ID 9jbnDwf8AuC
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-PRJMDXOYSA-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 2aFOnB7JFJj
Name (3R,4R,5R)-3-butyl-4-hydroxy-5-methyl-2-oxolanone
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-PRJMDXOYSA-N
Molecular Weight 172.224 g/mol
SMILES O[C@@]1([C@](C(O[C@@]1(C)[H])=O)(CCCC)[H])[H]
SPLASH splash10-0aor-9600000000-f709cdb2bdac0a2acc89
Source of Spectrum J-58-2951-27
Synonyms (3R,4R,5R)-3-butyl-4-hydroxy-5-methyl-tetrahydrofuran-2-one (3R,4R,5R)-3-butyl-4-hydroxy-5-methyloxolan-2-one (3R,4R,5R)-3-butyl-5-methyl-4-oxidanyl-oxolan-2-one
Wiley ID 1168812