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Succinic acid, 2-(1-adamantyl)ethyl butyl ester

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Succinic acid, 2-(1-adamantyl)ethyl butyl ester
SpectraBase Compound ID 8xjWwJEeY33
InChI InChI=1S/C20H32O4/c1-2-3-7-23-18(21)4-5-19(22)24-8-6-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3/t15-,16+,17-,20+
InChIKey WLTPITUWBIROES-FRIOTGHOSA-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 8cc0R1wRkkS
Name Succinic acid, 2-(1-adamantyl)ethyl butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-2-3-7-23-18(21)4-5-19(22)24-8-6-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3/t15-,16+,17-,20+
InChIKey WLTPITUWBIROES-FRIOTGHOSA-N
Molecular Weight 336.472 g/mol
SMILES C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(CCC(OCCCC)=O)=O