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2-(2-Amino-5-chloro-phenyl)-1,1,1-trifluoro-4-phenyl-but-3-yn-2-ol

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2-(2-Amino-5-chloro-phenyl)-1,1,1-trifluoro-4-phenyl-but-3-yn-2-ol
SpectraBase Compound ID 3akCFdtIq1y
InChI InChI=1S/C16H11ClF3NO/c17-12-6-7-14(21)13(10-12)15(22,16(18,19)20)9-8-11-4-2-1-3-5-11/h1-7,10,22H,21H2
InChIKey MAZOKIJIPGIFQC-UHFFFAOYSA-N
Mol Weight 325.72 g/mol
Molecular Formula C16H11ClF3NO
Exact Mass 325.048126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfskM2mYYL
Name 2-(2-Amino-5-chloro-phenyl)-1,1,1-trifluoro-4-phenyl-but-3-yn-2-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.048126166 u
Formula C16H11ClF3NO
InChI InChI=1S/C16H11ClF3NO/c17-12-6-7-14(21)13(10-12)15(22,16(18,19)20)9-8-11-4-2-1-3-5-11/h1-7,10,22H,21H2
InChIKey MAZOKIJIPGIFQC-UHFFFAOYSA-N
Molecular Weight 325.718 g/mol
SMILES C(C#CC1=CC=CC=C1)(C=1C(=CC=C(C1)Cl)N)(C(F)(F)F)O