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2-Amino-4'-bromobenzophenone, N-pentafluoropropionyl-

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2-Amino-4'-bromobenzophenone, N-pentafluoropropionyl-
SpectraBase Compound ID SQHhO3iLI0
InChI InChI=1S/C16H9BrF5NO2/c17-10-7-5-9(6-8-10)13(24)11-3-1-2-4-12(11)23-14(25)15(18,19)16(20,21)22/h1-8H,(H,23,25)
InChIKey ATFUZUXGRFJYNR-UHFFFAOYSA-N
Mol Weight 422.15 g/mol
Molecular Formula C16H9BrF5NO2
Exact Mass 420.973682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4AwLM9ByTf
Name 2-Amino-4'-bromobenzophenone, N-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.973682347 u
Formula C16H9BrF5NO2
InChI InChI=1S/C16H9BrF5NO2/c17-10-7-5-9(6-8-10)13(24)11-3-1-2-4-12(11)23-14(25)15(18,19)16(20,21)22/h1-8H,(H,23,25)
InChIKey ATFUZUXGRFJYNR-UHFFFAOYSA-N
Molecular Weight 422.149 g/mol
SMILES C1(Br)=CC=C(C=C1)C(=O)C1=C(C=CC=C1)NC(C(C(F)(F)F)(F)F)=O