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Succinic acid, 2-(adamant-1-yl)ethyl cyclohexylmethyl ester
SpectraBase Compound ID 2VrTg58tmxw
InChI InChI=1S/C23H36O4/c24-21(6-7-22(25)27-16-17-4-2-1-3-5-17)26-9-8-23-13-18-10-19(14-23)12-20(11-18)15-23/h17-20H,1-16H2/t18-,19+,20-,23+
InChIKey NHANQUSNLYPBSN-SMVBUDFHSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iawyzn8Mt4S
Name Succinic acid, 2-(adamant-1-yl)ethyl cyclohexylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c24-21(6-7-22(25)27-16-17-4-2-1-3-5-17)26-9-8-23-13-18-10-19(14-23)12-20(11-18)15-23/h17-20H,1-16H2/t18-,19+,20-,23+
InChIKey NHANQUSNLYPBSN-SMVBUDFHSA-N
Molecular Weight 376.537 g/mol
SMILES C(CC(OCC1CCCCC1)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O