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Fumaric acid, 1-adamantylmethyl isohexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 1-adamantylmethyl isohexyl ester
SpectraBase Compound ID GKeOMXZ6ici
InChI InChI=1S/C21H32O4/c1-15(2)4-3-7-24-19(22)5-6-20(23)25-14-21-11-16-8-17(12-21)10-18(9-16)13-21/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5+/t16-,17+,18-,21-
InChIKey APVSIGXDVWIVMO-QRVLMCQOSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdDJ9KqwAvb
Name Fumaric acid, 1-adamantylmethyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.230059506 u
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-15(2)4-3-7-24-19(22)5-6-20(23)25-14-21-11-16-8-17(12-21)10-18(9-16)13-21/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5+/t16-,17+,18-,21-
InChIKey APVSIGXDVWIVMO-QRVLMCQOSA-N
Molecular Weight 348.483 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(\C=C\C(OCCCC(C)C)=O)=O