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

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

(2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl propionate
SpectraBase Compound ID uQiEbYNEPu
InChI InChI=1S/C14H24O4/c1-4-6-7-8-9-11-13(18-12(15)5-2)10(3)17-14(11)16/h10-11,13H,4-9H2,1-3H3/t10-,11+,13-/m0/s1
InChIKey CAUWELPIVBNTLJ-LOWVWBTDSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AovbPp9fwbe
Name (2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-4-6-7-8-9-11-13(18-12(15)5-2)10(3)17-14(11)16/h10-11,13H,4-9H2,1-3H3/t10-,11+,13-/m0/s1
InChIKey CAUWELPIVBNTLJ-LOWVWBTDSA-N
Molecular Weight 256.342 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCCCC)[H])(OC(CC)=O)[H])(C)[H])=O