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Fumaric acid, 2-norbornyl pentadecyl ester
SpectraBase Compound ID B40YbD5MMnS
InChI InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)17-18-26(28)30-24-21-22-15-16-23(24)20-22/h17-18,22-24H,2-16,19-21H2,1H3/b18-17+/t22-,23+,24+/m1/s1
InChIKey OQVUHHFUOKTKOH-SDALJLPISA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H44O4
Exact Mass 420.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4ktGhRqBxS
Name Fumaric acid, 2-norbornyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.323959893 u
Formula C26H44O4
InChI InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)17-18-26(28)30-24-21-22-15-16-23(24)20-22/h17-18,22-24H,2-16,19-21H2,1H3/b18-17+/t22-,23+,24+/m1/s1
InChIKey OQVUHHFUOKTKOH-SDALJLPISA-N
Molecular Weight 420.634 g/mol
SMILES CCCCCCCCCCCCCCCOC(\C=C\C(O[C@]1(C[C@@]2(CC[C@]1(C2)[H])[H])[H])=O)=O