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(2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl 3-methylbutanoate
SpectraBase Compound ID JMOJ2ibGlvN
InChI InChI=1S/C16H28O4/c1-5-6-7-8-9-13-15(12(4)19-16(13)18)20-14(17)10-11(2)3/h11-13,15H,5-10H2,1-4H3/t12-,13+,15-/m0/s1
InChIKey HSJJMFHFUBLEIJ-GUTXKFCHSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ccDR7PpX3X
Name (2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl 3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-5-6-7-8-9-13-15(12(4)19-16(13)18)20-14(17)10-11(2)3/h11-13,15H,5-10H2,1-4H3/t12-,13+,15-/m0/s1
InChIKey HSJJMFHFUBLEIJ-GUTXKFCHSA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 284.396 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCCCC)[H])(OC(CC(C)C)=O)[H])(C)[H])=O
SPLASH splash10-052s-9110000000-2009f56595b1015c3c11
Source of Spectrum CBC-13-1635/SM38-79
Wiley ID 1786775