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(RS)-(2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-methylbutanoate
SpectraBase Compound ID 2oJsmmvlYjX
InChI InChI=1S/C16H28O4/c1-5-7-8-9-10-13-14(12(4)19-16(13)18)20-15(17)11(3)6-2/h11-14H,5-10H2,1-4H3/t11?,12-,13+,14-/m0/s1
InChIKey HFIQFOHAKOZNTB-GSPSYOTPSA-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 GbCRxk8tCEM
Name (RS)-(2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-methylbutanoate
Alternate Name(s) (2S,3R,4R)-4-hexyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-5-7-8-9-10-13-14(12(4)19-16(13)18)20-15(17)11(3)6-2/h11-14H,5-10H2,1-4H3/t11?,12-,13+,14-/m0/s1
InChIKey HFIQFOHAKOZNTB-GSPSYOTPSA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 284.396 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCCCC)[H])(OC(C(CC)C)=O)[H])(C)[H])=O
SPLASH splash10-052k-9100000000-fe5b760b46e766f0cc93
Source of Spectrum CBC-13-1635/SM35-37
Wiley ID 1786753