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Fumaric acid, 1-adamantylmethyl pentyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 1-adamantylmethyl pentyl ester
SpectraBase Compound ID KxoyhEhjhGt
InChI InChI=1S/C20H30O4/c1-2-3-4-7-23-18(21)5-6-19(22)24-14-20-11-15-8-16(12-20)10-17(9-15)13-20/h5-6,15-17H,2-4,7-14H2,1H3/b6-5+/t15-,16+,17-,20-
InChIKey YTNNMDPNEAMXJX-ITJNWFEFSA-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 DFwx22dTuLY
Name Fumaric acid, 1-adamantylmethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-2-3-4-7-23-18(21)5-6-19(22)24-14-20-11-15-8-16(12-20)10-17(9-15)13-20/h5-6,15-17H,2-4,7-14H2,1H3/b6-5+/t15-,16+,17-,20-
InChIKey YTNNMDPNEAMXJX-ITJNWFEFSA-N
Molecular Weight 334.456 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(\C=C\C(OCCCCC)=O)=O