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

View entire compound with spectra: 1 NMR

Adipic acid, 2-(1-adamantyl)ethyl decyl ester
SpectraBase Compound ID ADXJgLKF93z
InChI InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-11-15-31-26(29)12-9-10-13-27(30)32-16-14-28-20-23-17-24(21-28)19-25(18-23)22-28/h23-25H,2-22H2,1H3/t23-,24+,25-,28+
InChIKey DFDSEFWLKIMLNU-MFEGJUFYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWCo9drjLUs
Name Adipic acid, 2-(1-adamantyl)ethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.355260022 u
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-11-15-31-26(29)12-9-10-13-27(30)32-16-14-28-20-23-17-24(21-28)19-25(18-23)22-28/h23-25H,2-22H2,1H3/t23-,24+,25-,28+
InChIKey DFDSEFWLKIMLNU-MFEGJUFYSA-N
Molecular Weight 448.688 g/mol
SMILES C(CC(=O)OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CCC(OCCCCCCCCCC)=O