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2,2,3,3-Tetrafluoropropyl 5-(benzylamino)-5-oxopentanoate

View entire compound with spectra: 2 NMR

2,2,3,3-Tetrafluoropropyl 5-(benzylamino)-5-oxopentanoate
SpectraBase Compound ID HjDWPrcxzD2
InChI InChI=1S/C15H17F4NO3/c16-14(17)15(18,19)10-23-13(22)8-4-7-12(21)20-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,20,21)
InChIKey AEDOITNZMNRKQF-UHFFFAOYSA-N
Mol Weight 335.3 g/mol
Molecular Formula C15H17F4NO3
Exact Mass 335.114456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bx1wJTXxyC
Name 2,2,3,3-Tetrafluoropropyl 5-(benzylamino)-5-oxopentanoate
Comments Computed using HOSE algorithm
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Exact Mass 335.114456060 u
Formula C15H17F4NO3
InChI InChI=1S/C15H17F4NO3/c16-14(17)15(18,19)10-23-13(22)8-4-7-12(21)20-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,20,21)
InChIKey AEDOITNZMNRKQF-UHFFFAOYSA-N
Molecular Weight 335.299 g/mol
SMILES N(C(CCCC(OCC(C(F)F)(F)F)=O)=O)CC=1C=CC=CC1