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(Z)-(2S,3R,4R)-4-Ethyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-methylbut-2-enoate

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

(Z)-(2S,3R,4R)-4-Ethyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-methylbut-2-enoate
SpectraBase Compound ID 3pkcDKuKc3b
InChI InChI=1S/C12H18O4/c1-5-7(3)11(13)16-10-8(4)15-12(14)9(10)6-2/h5,8-10H,6H2,1-4H3/b7-5-/t8-,9+,10-/m0/s1
InChIKey QHVUUPDDGFFGSO-LLFMIUTKSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCBDxfSmtaR
Name (Z)-(2S,3R,4R)-4-Ethyl-2-methyl-5-oxotetrahydrofuran-3-yl 2-methylbut-2-enoate
Comments Computed using HOSE algorithm
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Exact Mass 226.120509056 u
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-5-7(3)11(13)16-10-8(4)15-12(14)9(10)6-2/h5,8-10H,6H2,1-4H3/b7-5-/t8-,9+,10-/m0/s1
InChIKey QHVUUPDDGFFGSO-LLFMIUTKSA-N
Molecular Weight 226.272 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CC)[H])(OC(\C(=C/C)C)=O)[H])(C)[H])=O