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Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-phenylpropyl ester
SpectraBase Compound ID FC47MSO7EDJ
InChI InChI=1S/C17H20F4O4/c18-16(19)17(20,21)12-25-15(23)10-4-9-14(22)24-11-5-8-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12H2
InChIKey DVFQAOKJFYOLNL-UHFFFAOYSA-N
Mol Weight 364.34 g/mol
Molecular Formula C17H20F4O4
Exact Mass 364.129772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpwxYcOzv2e
Name Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.129771772 u
Formula C17H20F4O4
InChI InChI=1S/C17H20F4O4/c18-16(19)17(20,21)12-25-15(23)10-4-9-14(22)24-11-5-8-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12H2
InChIKey DVFQAOKJFYOLNL-UHFFFAOYSA-N
Molecular Weight 364.337 g/mol
SMILES C(CCC(OCC(C(F)F)(F)F)=O)C(OCCCC1=CC=CC=C1)=O