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Glutaric acid, 1,1,1-trifluoroprop-2-yl oct-3-en-2-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1,1,1-trifluoroprop-2-yl oct-3-en-2-yl ester
SpectraBase Compound ID HeWuBrYldmv
InChI InChI=1S/C16H25F3O4/c1-4-5-6-7-9-12(2)22-14(20)10-8-11-15(21)23-13(3)16(17,18)19/h7,9,12-13H,4-6,8,10-11H2,1-3H3/b9-7+
InChIKey PBYLROOOKDHVAP-VQHVLOKHSA-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 5wjmsq0Ro7d
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl oct-3-en-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.170493770 u
Formula C16H25F3O4
InChI InChI=1S/C16H25F3O4/c1-4-5-6-7-9-12(2)22-14(20)10-8-11-15(21)23-13(3)16(17,18)19/h7,9,12-13H,4-6,8,10-11H2,1-3H3/b9-7+
InChIKey PBYLROOOKDHVAP-VQHVLOKHSA-N
Molecular Weight 338.367 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OC(C)\C=C\CCCC)=O