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Fumaric acid, 2-adamantyl pentyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-adamantyl pentyl ester
SpectraBase Compound ID 7rXjB8y7oCq
InChI InChI=1S/C19H28O4/c1-2-3-4-7-22-17(20)5-6-18(21)23-19-15-9-13-8-14(11-15)12-16(19)10-13/h5-6,13-16,19H,2-4,7-12H2,1H3/b6-5+/t13-,14+,15-,16+,19?
InChIKey HJJFTTSAURXPHZ-WLAQHKOGSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGSsb64lQ8E
Name Fumaric acid, 2-adamantyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-2-3-4-7-22-17(20)5-6-18(21)23-19-15-9-13-8-14(11-15)12-16(19)10-13/h5-6,13-16,19H,2-4,7-12H2,1H3/b6-5+/t13-,14+,15-,16+,19?
InChIKey HJJFTTSAURXPHZ-WLAQHKOGSA-N
Molecular Weight 320.429 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)(OCCCCC)=O