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Adipic acid, 2-(1-adamantyl)ethyl isobutyl ester

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

Adipic acid, 2-(1-adamantyl)ethyl isobutyl ester
SpectraBase Compound ID 9Joi0dkTHFn
InChI InChI=1S/C22H36O4/c1-16(2)15-26-21(24)6-4-3-5-20(23)25-8-7-22-12-17-9-18(13-22)11-19(10-17)14-22/h16-19H,3-15H2,1-2H3/t17-,18+,19-,22+
InChIKey COIKCTMCEJLHFN-NTAIKFDKSA-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 EBejxxImoHy
Name Adipic acid, 2-(1-adamantyl)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-16(2)15-26-21(24)6-4-3-5-20(23)25-8-7-22-12-17-9-18(13-22)11-19(10-17)14-22/h16-19H,3-15H2,1-2H3/t17-,18+,19-,22+
InChIKey COIKCTMCEJLHFN-NTAIKFDKSA-N
Molecular Weight 364.526 g/mol
SMILES C(C(=O)OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CCCC(OCC(C)C)=O