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Succinic acid, 2-adamantyl hexyl ester

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Succinic acid, 2-adamantyl hexyl ester
SpectraBase Compound ID 8wLircPAR4S
InChI InChI=1S/C20H32O4/c1-2-3-4-5-8-23-18(21)6-7-19(22)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h14-17,20H,2-13H2,1H3/t14-,15+,16-,17+,20?
InChIKey UZUAZJOANPFNKK-YMSSVPQNSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICr7xHlUzFx
Name Succinic acid, 2-adamantyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-2-3-4-5-8-23-18(21)6-7-19(22)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h14-17,20H,2-13H2,1H3/t14-,15+,16-,17+,20?
InChIKey UZUAZJOANPFNKK-YMSSVPQNSA-N
Molecular Weight 336.472 g/mol
SMILES C(C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)CC(OCCCCCC)=O