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Fumaric acid, 1-adamantylmethyl octyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, 1-adamantylmethyl octyl ester
SpectraBase Compound ID JJXRJ9D8af4
InChI InChI=1S/C23H36O4/c1-2-3-4-5-6-7-10-26-21(24)8-9-22(25)27-17-23-14-18-11-19(15-23)13-20(12-18)16-23/h8-9,18-20H,2-7,10-17H2,1H3/b9-8+/t18-,19+,20-,23-
InChIKey KOLRCBNERPAQHJ-WHVKOPCISA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDoxWhg2Ndc
Name Fumaric acid, 1-adamantylmethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-2-3-4-5-6-7-10-26-21(24)8-9-22(25)27-17-23-14-18-11-19(15-23)13-20(12-18)16-23/h8-9,18-20H,2-7,10-17H2,1H3/b9-8+/t18-,19+,20-,23-
InChIKey KOLRCBNERPAQHJ-WHVKOPCISA-N
Molecular Weight 376.537 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(\C=C\C(OCCCCCCCC)=O)=O