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Glutaric acid, di(adamant-2-yl) ester

View entire compound with spectra: 1 NMR

Glutaric acid, di(adamant-2-yl) ester
SpectraBase Compound ID EHNztToCoGp
InChI InChI=1S/C25H36O4/c26-22(28-24-18-6-14-4-15(8-18)9-19(24)7-14)2-1-3-23(27)29-25-20-10-16-5-17(12-20)13-21(25)11-16/h14-21,24-25H,1-13H2/t14-,15+,16-,17+,18-,19+,20-,21+,24-,25-
InChIKey ILNKKXHEPPATCY-HYHHSQOZSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gfvd2pNEpmY
Name Glutaric acid, di(adamant-2-yl) ester
Comments Computed using HOSE algorithm
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Exact Mass 400.261359635 u
Formula C25H36O4
InChI InChI=1S/C25H36O4/c26-22(28-24-18-6-14-4-15(8-18)9-19(24)7-14)2-1-3-23(27)29-25-20-10-16-5-17(12-20)13-21(25)11-16/h14-21,24-25H,1-13H2/t14-,15+,16-,17+,18-,19+,20-,21+,24-,25-
InChIKey ILNKKXHEPPATCY-HYHHSQOZSA-N
Molecular Weight 400.559 g/mol
SMILES C(CCC(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O