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Succinic acid, dec-2-yl adamant-2-yl ester
SpectraBase Compound ID JeJwijpPQyf
InChI InChI=1S/C24H40O4/c1-3-4-5-6-7-8-9-17(2)27-22(25)10-11-23(26)28-24-20-13-18-12-19(15-20)16-21(24)14-18/h17-21,24H,3-16H2,1-2H3/t17?,18-,19+,20-,21+,24?
InChIKey IZBHIMSATAVJGA-XKKYYNBOSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35py5y8PMfA
Name Succinic acid, dec-2-yl adamant-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.292659764 u
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-3-4-5-6-7-8-9-17(2)27-22(25)10-11-23(26)28-24-20-13-18-12-19(15-20)16-21(24)14-18/h17-21,24H,3-16H2,1-2H3/t17?,18-,19+,20-,21+,24?
InChIKey IZBHIMSATAVJGA-XKKYYNBOSA-N
Molecular Weight 392.580 g/mol
SMILES C(CC(OC(CCCCCCCC)C)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O