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Fumaric acid, 2-adamantyl hexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-adamantyl hexyl ester
SpectraBase Compound ID DN7l0pWkgQf
InChI InChI=1S/C20H30O4/c1-2-3-4-5-8-23-18(21)6-7-19(22)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h6-7,14-17,20H,2-5,8-13H2,1H3/b7-6+/t14-,15+,16-,17+,20?
InChIKey XVARRGOUYOQPOG-LQINJRBJSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID NY3Ek5Pbl2
Name Fumaric acid, 2-adamantyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-2-3-4-5-8-23-18(21)6-7-19(22)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h6-7,14-17,20H,2-5,8-13H2,1H3/b7-6+/t14-,15+,16-,17+,20?
InChIKey XVARRGOUYOQPOG-LQINJRBJSA-N
Molecular Weight 334.456 g/mol
SMILES C(\C=C\C(OCCCCCC)=O)(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O