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

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Adipic acid, 2-(1-adamantyl)ethyl ethyl ester
SpectraBase Compound ID 6uywR6R59E1
InChI InChI=1S/C20H32O4/c1-2-23-18(21)5-3-4-6-19(22)24-8-7-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3/t15-,16+,17-,20+
InChIKey ZQIPIJVJJSJQDR-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 GKgRQ1tvdkH
Name Adipic acid, 2-(1-adamantyl)ethyl ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-2-23-18(21)5-3-4-6-19(22)24-8-7-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3/t15-,16+,17-,20+
InChIKey ZQIPIJVJJSJQDR-FRIOTGHOSA-N
Molecular Weight 336.472 g/mol
SMILES C(=O)(CCCCC(OCC)=O)OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]