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7-[2',4'-Diacetoxyundecyl]- (perhydro)bipyran-1-one

View entire compound with spectra: 1 NMR

7-[2',4'-Diacetoxyundecyl]- (perhydro)bipyran-1-one
SpectraBase Compound ID CShc2zM9u6c
InChI InChI=1S/C22H36O7/c1-4-5-6-7-8-9-17(26-15(2)23)10-18(27-16(3)24)11-19-12-20-13-21(28-19)14-22(25)29-20/h17-21H,4-14H2,1-3H3/t17-,18-,19+,20+,21-/m1/s1
InChIKey FVDITMBYDPRLGG-CRSSMBPESA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H36O7
Exact Mass 412.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBDiMgYwfb7
Name 7-[2',4'-Diacetoxyundecyl]- (perhydro)bipyran-1-one
Comments Computed using HOSE algorithm
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Exact Mass 412.246103492 u
Formula C22H36O7
InChI InChI=1S/C22H36O7/c1-4-5-6-7-8-9-17(26-15(2)23)10-18(27-16(3)24)11-19-12-20-13-21(28-19)14-22(25)29-20/h17-21H,4-14H2,1-3H3/t17-,18-,19+,20+,21-/m1/s1
InChIKey FVDITMBYDPRLGG-CRSSMBPESA-N
Molecular Weight 412.523 g/mol
SMILES C1(O[C@@]2(C[C@](C1)(O[C@](C2)(C[C@](OC(=O)C)(C[C@](OC(=O)C)(CCCCCCC)[H])[H])[H])[H])[H])=O