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2,3:5,6-di-o-1-Cyclohexylieden-1,4-cyclohexandiallylether
SpectraBase Compound ID UZCBuNgh6I
InChI InChI=1S/C24H36O6/c1-3-15-25-17-19-21(29-23(27-19)11-7-5-8-12-23)18(26-16-4-2)22-20(17)28-24(30-22)13-9-6-10-14-24/h3-4,17-22H,1-2,5-16H2/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKey FSCTWOGSNXMLPZ-KKFDQILXSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fr4xVRBSpPB
Name 2,3:5,6-di-o-1-Cyclohexylieden-1,4-cyclohexandiallylether
Comments Computed using HOSE algorithm
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Exact Mass 420.251188873 u
Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-3-15-25-17-19-21(29-23(27-19)11-7-5-8-12-23)18(26-16-4-2)22-20(17)28-24(30-22)13-9-6-10-14-24/h3-4,17-22H,1-2,5-16H2/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKey FSCTWOGSNXMLPZ-KKFDQILXSA-N
Molecular Weight 420.546 g/mol
SMILES C12(O[C@@]3([C@]([C@@]4(OC5(O[C@]4([C@@]([C@@]3(O2)[H])(OCC=C)[H])[H])CCCCC5)[H])(OCC=C)[H])[H])CCCCC1