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Fumaric acid, decyl 2-norbornyl ester
SpectraBase Compound ID 8AKyshzCFi6
InChI InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-14-24-20(22)12-13-21(23)25-19-16-17-10-11-18(19)15-17/h12-13,17-19H,2-11,14-16H2,1H3/b13-12+/t17-,18+,19+/m1/s1
InChIKey QNWJQOHZLLHOFW-CRSWNHEMSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7q2GoTvLkBc
Name Fumaric acid, decyl 2-norbornyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.245709571 u
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-14-24-20(22)12-13-21(23)25-19-16-17-10-11-18(19)15-17/h12-13,17-19H,2-11,14-16H2,1H3/b13-12+/t17-,18+,19+/m1/s1
InChIKey QNWJQOHZLLHOFW-CRSWNHEMSA-N
Molecular Weight 350.499 g/mol
SMILES C(O[C@]1(C[C@@]2(CC[C@]1(C2)[H])[H])[H])(\C=C\C(OCCCCCCCCCC)=O)=O