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(2S,3R,4R)-2-Methyl-4-((RS)-4-methylhexyl)-5-oxotetrahydrofuran-3-yl 2-ethylbutanoate
SpectraBase Compound ID JTf3tvIOzIt
InChI InChI=1S/C18H32O4/c1-6-12(4)10-9-11-15-16(13(5)21-18(15)20)22-17(19)14(7-2)8-3/h12-16H,6-11H2,1-5H3/t12?,13-,15+,16-/m0/s1
InChIKey RSPLSWGSMLNNKG-ZMLGBVNGSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XZtHXA1tLt
Name (2S,3R,4R)-2-Methyl-4-((RS)-4-methylhexyl)-5-oxotetrahydrofuran-3-yl 2-ethylbutanoate
Alternate Name(s) (2S,3R,4R)-2-methyl-4-(4-methylhexyl)-5-oxotetrahydrofuran-3-yl 2-ethylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-6-12(4)10-9-11-15-16(13(5)21-18(15)20)22-17(19)14(7-2)8-3/h12-16H,6-11H2,1-5H3/t12?,13-,15+,16-/m0/s1
InChIKey RSPLSWGSMLNNKG-ZMLGBVNGSA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 312.450 g/mol
SMILES [C@@]1(OC([C@@]([C@]1(OC(C(CC)CC)=O)[H])(CCCC(CC)C)[H])=O)(C)[H]
SPLASH splash10-0002-9100000000-3412ecb1a447223a530f
Source of Spectrum CBC-13-1635/SM39-84
Wiley ID 1786780