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2,2,3,3-Tetrafluoropropyl 5-(4-methoxyanilino)-5-oxopentanoate

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2,2,3,3-Tetrafluoropropyl 5-(4-methoxyanilino)-5-oxopentanoate
SpectraBase Compound ID 6IwN9dMEe1P
InChI InChI=1S/C15H17F4NO4/c1-23-11-7-5-10(6-8-11)20-12(21)3-2-4-13(22)24-9-15(18,19)14(16)17/h5-8,14H,2-4,9H2,1H3,(H,20,21)
InChIKey LNSVNFAEXOYZDD-UHFFFAOYSA-N
Mol Weight 351.3 g/mol
Molecular Formula C15H17F4NO4
Exact Mass 351.109371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2gU2grIJZW
Name 2,2,3,3-Tetrafluoropropyl 5-(4-methoxyanilino)-5-oxopentanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.109370679 u
Formula C15H17F4NO4
InChI InChI=1S/C15H17F4NO4/c1-23-11-7-5-10(6-8-11)20-12(21)3-2-4-13(22)24-9-15(18,19)14(16)17/h5-8,14H,2-4,9H2,1H3,(H,20,21)
InChIKey LNSVNFAEXOYZDD-UHFFFAOYSA-N
Molecular Weight 351.298 g/mol
SMILES N(C(CCCC(OCC(C(F)F)(F)F)=O)=O)C=1C=CC(=CC1)OC