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Glutaric acid, 2-(adamant-1-yl)ethyl ethyl ester

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Glutaric acid, 2-(adamant-1-yl)ethyl ethyl ester
SpectraBase Compound ID Fwdxs3hhv9L
InChI InChI=1S/C19H30O4/c1-2-22-17(20)4-3-5-18(21)23-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3/t14-,15+,16-,19+
InChIKey NPXUJMOSPADRMB-IAKCYEPBSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FozUvmxdJY
Name Glutaric acid, 2-(adamant-1-yl)ethyl ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.214409442 u
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-2-22-17(20)4-3-5-18(21)23-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3/t14-,15+,16-,19+
InChIKey NPXUJMOSPADRMB-IAKCYEPBSA-N
Molecular Weight 322.445 g/mol
SMILES C(CCC(OCC)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O