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(2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl isobutyrate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl isobutyrate
SpectraBase Compound ID DijxHfapdhb
InChI InChI=1S/C15H26O4/c1-5-6-7-8-9-12-13(11(4)18-15(12)17)19-14(16)10(2)3/h10-13H,5-9H2,1-4H3/t11-,12+,13-/m0/s1
InChIKey IQJGVWTYWHNJIE-XQQFMLRXSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Boix1MJi6OQ
Name (2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl isobutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-5-6-7-8-9-12-13(11(4)18-15(12)17)19-14(16)10(2)3/h10-13H,5-9H2,1-4H3/t11-,12+,13-/m0/s1
InChIKey IQJGVWTYWHNJIE-XQQFMLRXSA-N
Molecular Weight 270.369 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCCCC)[H])(OC(C(C)C)=O)[H])(C)[H])=O