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Fumaric acid, 2-adamantyl nonyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-adamantyl nonyl ester
SpectraBase Compound ID IDQZrpInxxF
InChI InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-11-26-21(24)9-10-22(25)27-23-19-13-17-12-18(15-19)16-20(23)14-17/h9-10,17-20,23H,2-8,11-16H2,1H3/b10-9+/t17-,18+,19-,20+,23?
InChIKey QICRUURFTWKRHD-UJOOMXNSSA-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 GxoZpSTuVuX
Name Fumaric acid, 2-adamantyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-11-26-21(24)9-10-22(25)27-23-19-13-17-12-18(15-19)16-20(23)14-17/h9-10,17-20,23H,2-8,11-16H2,1H3/b10-9+/t17-,18+,19-,20+,23?
InChIKey QICRUURFTWKRHD-UJOOMXNSSA-N
Molecular Weight 376.537 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)(OCCCCCCCCC)=O