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Fumaric acid, 2-adamantyl octyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-adamantyl octyl ester
SpectraBase Compound ID Li2HsXqGfjt
InChI InChI=1S/C22H34O4/c1-2-3-4-5-6-7-10-25-20(23)8-9-21(24)26-22-18-12-16-11-17(14-18)15-19(22)13-16/h8-9,16-19,22H,2-7,10-15H2,1H3/b9-8+/t16-,17+,18-,19+,22?
InChIKey ZLSOFPQWJGZWTP-RLIIORBDSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Ur8y2hGWml
Name Fumaric acid, 2-adamantyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-2-3-4-5-6-7-10-25-20(23)8-9-21(24)26-22-18-12-16-11-17(14-18)15-19(22)13-16/h8-9,16-19,22H,2-7,10-15H2,1H3/b9-8+/t16-,17+,18-,19+,22?
InChIKey ZLSOFPQWJGZWTP-RLIIORBDSA-N
Molecular Weight 362.510 g/mol
SMILES C(\C=C\C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)(OCCCCCCCC)=O