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Fumaric acid, decyl 2,2,2-trifluoroethyl ester
SpectraBase Compound ID KZcIgneGoEl
InChI InChI=1S/C16H25F3O4/c1-2-3-4-5-6-7-8-9-12-22-14(20)10-11-15(21)23-13-16(17,18)19/h10-11H,2-9,12-13H2,1H3/b11-10+
InChIKey IMAXXVVRPPAUEC-ZHACJKMWSA-N
Mol Weight 338.37 g/mol
Molecular Formula C16H25F3O4
Exact Mass 338.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3y9mmjnsZ7L
Name Fumaric acid, decyl 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.170493770 u
Formula C16H25F3O4
InChI InChI=1S/C16H25F3O4/c1-2-3-4-5-6-7-8-9-12-22-14(20)10-11-15(21)23-13-16(17,18)19/h10-11H,2-9,12-13H2,1H3/b11-10+
InChIKey IMAXXVVRPPAUEC-ZHACJKMWSA-N
Molecular Weight 338.367 g/mol
SMILES C(COC(\C=C\C(OCCCCCCCCCC)=O)=O)(F)(F)F