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2-Amino-5-chloro-2'-fluorobenzophenone, N-pentafluoropropionyl-
SpectraBase Compound ID 4UW0cM4UEDs
InChI InChI=1S/C16H8ClF6NO2/c17-8-5-6-12(24-14(26)15(19,20)16(21,22)23)10(7-8)13(25)9-3-1-2-4-11(9)18/h1-7H,(H,24,26)
InChIKey OSWHUKURKQJTGC-UHFFFAOYSA-N
Mol Weight 395.69 g/mol
Molecular Formula C16H8ClF6NO2
Exact Mass 395.014775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QKzJ0R4srD
Name 2-Amino-5-chloro-2'-fluorobenzophenone, N-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.014775178 u
Formula C16H8ClF6NO2
InChI InChI=1S/C16H8ClF6NO2/c17-8-5-6-12(24-14(26)15(19,20)16(21,22)23)10(7-8)13(25)9-3-1-2-4-11(9)18/h1-7H,(H,24,26)
InChIKey OSWHUKURKQJTGC-UHFFFAOYSA-N
Molecular Weight 395.688 g/mol
SMILES C1(F)=C(C=CC=C1)C(=O)C1=C(C=CC(=C1)Cl)NC(C(C(F)(F)F)(F)F)=O