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Succinic acid, 2-adamantyl octyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-adamantyl octyl ester
SpectraBase Compound ID J7LfDYSKuLO
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-10-25-20(23)8-9-21(24)26-22-18-12-16-11-17(14-18)15-19(22)13-16/h16-19,22H,2-15H2,1H3/t16-,17+,18-,19+,22?
InChIKey YKFCZHWBVBDRPE-NMYSLRMKSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGaMgrT9lza
Name Succinic acid, 2-adamantyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-10-25-20(23)8-9-21(24)26-22-18-12-16-11-17(14-18)15-19(22)13-16/h16-19,22H,2-15H2,1H3/t16-,17+,18-,19+,22?
InChIKey YKFCZHWBVBDRPE-NMYSLRMKSA-N
Molecular Weight 364.526 g/mol
SMILES C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])(CCC(OCCCCCCCC)=O)=O