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Succinic acid, di(2-(1-adamantyl)ethyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, di(2-(1-adamantyl)ethyl) ester
SpectraBase Compound ID 3Yr04rmCoAS
InChI InChI=1S/C28H42O4/c29-25(31-5-3-27-13-19-7-20(14-27)9-21(8-19)15-27)1-2-26(30)32-6-4-28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,1-18H2/t19-,20+,21-,22-,23+,24-,27+,28+
InChIKey QYWSHCCNIKPBDF-AKFPIKELSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3swzn3S0IZZ
Name Succinic acid, di(2-(1-adamantyl)ethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 442.308309828 u
Formula C28H42O4
InChI InChI=1S/C28H42O4/c29-25(31-5-3-27-13-19-7-20(14-27)9-21(8-19)15-27)1-2-26(30)32-6-4-28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,1-18H2/t19-,20+,21-,22-,23+,24-,27+,28+
InChIKey QYWSHCCNIKPBDF-AKFPIKELSA-N
Molecular Weight 442.640 g/mol
SMILES C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])(CCC(OCCC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])=O)=O