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LLALEXXCKCFLES-RNJXMRFFSA-N
SpectraBase Compound ID 4LD57RJKlTh
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-/m0/s1
InChIKey LLALEXXCKCFLES-RNJXMRFFSA-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 Bu59I6a7IxR
Name (3R,4R,5S)-3-Butyl-4-hydroxy-5-methyldihydrofuran-2(3H)-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-/m0/s1
InChIKey LLALEXXCKCFLES-RNJXMRFFSA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 172.224 g/mol
SMILES O[C@@]1([C@@](CCCC)(C(=O)O[C@]1(C)[H])[H])[H]
SPLASH splash10-0aos-9300000000-04c2fdeca6c82f0578d1
Source of Spectrum CBC-13-1635/SM28-67
Wiley ID 1786764