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(2S,3R,4R)-2-Methyl-4-((RS)-4-methylhexyl)-5-oxotetrahydrofuran-3-yl isobutyrate
SpectraBase Compound ID 3RbGTMmNL20
InChI InChI=1S/C16H28O4/c1-6-11(4)8-7-9-13-14(12(5)19-16(13)18)20-15(17)10(2)3/h10-14H,6-9H2,1-5H3/t11?,12-,13+,14-/m0/s1
InChIKey PVFLADRDEAFJPS-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 1gZWEaKzdw
Name (2S,3R,4R)-2-Methyl-4-((RS)-4-methylhexyl)-5-oxotetrahydrofuran-3-yl isobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-6-11(4)8-7-9-13-14(12(5)19-16(13)18)20-15(17)10(2)3/h10-14H,6-9H2,1-5H3/t11?,12-,13+,14-/m0/s1
InChIKey PVFLADRDEAFJPS-GSPSYOTPSA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 284.396 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCC(CC)C)[H])(OC(C(C)C)=O)[H])(C)[H])=O
SPLASH splash10-006w-9200000000-aafa57cc0cb506522a47
Source of Spectrum CBC-13-1635/SM40-86
Synonyms (2S,3R,4R)-2-methyl-4-(4-methylhexyl)-5-oxotetrahydrofuran-3-yl isobutyrate
Wiley ID 1786782