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(rs)-(2S,3R,4R)-4-Ethyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-ethylhexanoate
SpectraBase Compound ID F8u1c5tduk8
InChI InChI=1S/C15H26O4/c1-5-8-9-11(6-2)14(16)19-13-10(4)18-15(17)12(13)7-3/h10-13H,5-9H2,1-4H3/t10-,11?,12+,13-/m0/s1
InChIKey VWEFMEYXLSEUQW-USLXRJLDSA-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 29ndsx1qKYX
Name (rs)-(2S,3R,4R)-4-Ethyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-ethylhexanoate
Comments Computed using HOSE algorithm
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Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-5-8-9-11(6-2)14(16)19-13-10(4)18-15(17)12(13)7-3/h10-13H,5-9H2,1-4H3/t10-,11?,12+,13-/m0/s1
InChIKey VWEFMEYXLSEUQW-USLXRJLDSA-N
Molecular Weight 270.369 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CC)[H])(OC(C(CCCC)CC)=O)[H])(C)[H])=O