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Glutaric acid, adamant-2-yl 2-ethylhexyl ester
SpectraBase Compound ID 2EXf9pK7Hpg
InChI InChI=1S/C23H38O4/c1-3-5-7-16(4-2)15-26-21(24)8-6-9-22(25)27-23-19-11-17-10-18(13-19)14-20(23)12-17/h16-20,23H,3-15H2,1-2H3/t16?,17-,18+,19-,20+,23-
InChIKey ANOLWCXOXXHRRZ-AKAFDQGDSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ul45iF3Qj2
Name Glutaric acid, adamant-2-yl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.277009700 u
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-3-5-7-16(4-2)15-26-21(24)8-6-9-22(25)27-23-19-11-17-10-18(13-19)14-20(23)12-17/h16-20,23H,3-15H2,1-2H3/t16?,17-,18+,19-,20+,23-
InChIKey ANOLWCXOXXHRRZ-AKAFDQGDSA-N
Molecular Weight 378.553 g/mol
SMILES C(CCC(OCC(CC)CCCC)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O