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Fumaric acid, 2-adamantyl butyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-adamantyl butyl ester
SpectraBase Compound ID HtrsYrPSlmN
InChI InChI=1S/C18H26O4/c1-2-3-6-21-16(19)4-5-17(20)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h4-5,12-15,18H,2-3,6-11H2,1H3/b5-4+/t12-,13+,14-,15+,18?
InChIKey FUZRIKAXWMNRQF-ICOHMYJKSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQ80RrZ01jQ
Name Fumaric acid, 2-adamantyl butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-2-3-6-21-16(19)4-5-17(20)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h4-5,12-15,18H,2-3,6-11H2,1H3/b5-4+/t12-,13+,14-,15+,18?
InChIKey FUZRIKAXWMNRQF-ICOHMYJKSA-N
Molecular Weight 306.402 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)(OCCCC)=O