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2,2,3,3-Tetrafluoropropyl 5-oxo-5-(4-toluidino)pentanoate

View entire compound with spectra: 2 NMR

2,2,3,3-Tetrafluoropropyl 5-oxo-5-(4-toluidino)pentanoate
SpectraBase Compound ID 5brT0qDASt7
InChI InChI=1S/C15H17F4NO3/c1-10-5-7-11(8-6-10)20-12(21)3-2-4-13(22)23-9-15(18,19)14(16)17/h5-8,14H,2-4,9H2,1H3,(H,20,21)
InChIKey YBHFADZYFOSAAO-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 ARkbJeH02ux
Name 2,2,3,3-Tetrafluoropropyl 5-oxo-5-(4-toluidino)pentanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.114456060 u
Formula C15H17F4NO3
InChI InChI=1S/C15H17F4NO3/c1-10-5-7-11(8-6-10)20-12(21)3-2-4-13(22)23-9-15(18,19)14(16)17/h5-8,14H,2-4,9H2,1H3,(H,20,21)
InChIKey YBHFADZYFOSAAO-UHFFFAOYSA-N
Molecular Weight 335.299 g/mol
SMILES N(C(CCCC(OCC(C(F)F)(F)F)=O)=O)C=1C=CC(=CC1)C