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2,2,3,3-Tetrafluoropropyl 5-(1-naphthylamino)-5-oxopentanoate
SpectraBase Compound ID 3ji2u34ypoT
InChI InChI=1S/C18H17F4NO3/c19-17(20)18(21,22)11-26-16(25)10-4-9-15(24)23-14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,17H,4,9-11H2,(H,23,24)
InChIKey BQANPMUTMJOPQT-UHFFFAOYSA-N
Mol Weight 371.33 g/mol
Molecular Formula C18H17F4NO3
Exact Mass 371.114456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2hKGLZv6rZ
Name 2,2,3,3-Tetrafluoropropyl 5-(1-naphthylamino)-5-oxopentanoate
Comments Computed using HOSE algorithm
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Exact Mass 371.114456060 u
Formula C18H17F4NO3
InChI InChI=1S/C18H17F4NO3/c19-17(20)18(21,22)11-26-16(25)10-4-9-15(24)23-14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,17H,4,9-11H2,(H,23,24)
InChIKey BQANPMUTMJOPQT-UHFFFAOYSA-N
Molecular Weight 371.332 g/mol
SMILES N(C1=C2C(C=CC=C2)=CC=C1)C(CCCC(OCC(C(F)F)(F)F)=O)=O