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(rs)-(2S,3R,4R)-2,4-Dimethyl-5-oxotetrahydrofuran-3-yl 2-ethylhexanoate
SpectraBase Compound ID 3vWNHS2AM0S
InChI InChI=1S/C14H24O4/c1-5-7-8-11(6-2)14(16)18-12-9(3)13(15)17-10(12)4/h9-12H,5-8H2,1-4H3/t9-,10+,11?,12-/m1/s1
InChIKey PANSXKVTZSQQFM-AYLPWXGPSA-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 EejbxH0NOSR
Name (rs)-(2S,3R,4R)-2,4-Dimethyl-5-oxotetrahydrofuran-3-yl 2-ethylhexanoate
Comments Computed using HOSE algorithm
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Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-5-7-8-11(6-2)14(16)18-12-9(3)13(15)17-10(12)4/h9-12H,5-8H2,1-4H3/t9-,10+,11?,12-/m1/s1
InChIKey PANSXKVTZSQQFM-AYLPWXGPSA-N
Molecular Weight 256.342 g/mol
SMILES C1(O[C@]([C@@]([C@]1(C)[H])(OC(C(CCCC)CC)=O)[H])(C)[H])=O