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N-Acetyl-3-(alpha,alpha,alpha-trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl)-aniline

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N-Acetyl-3-(alpha,alpha,alpha-trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl)-aniline
SpectraBase Compound ID KLSWpMN9rdc
InChI InChI=1S/C15H19BF3NO3/c1-9(21)20-12-7-10(15(17,18)19)6-11(8-12)16-22-13(2,3)14(4,5)23-16/h6-8H,1-5H3,(H,20,21)
InChIKey YMUFDFRNXHUJLZ-UHFFFAOYSA-N
Mol Weight 329.1 g/mol
Molecular Formula C15H19BF3NO3
Exact Mass 329.141008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sme6n9iJCC
Name N-Acetyl-3-(alpha,alpha,alpha-trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl)-aniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.141008132 u
Formula C15H19BF3NO3
InChI InChI=1S/C15H19BF3NO3/c1-9(21)20-12-7-10(15(17,18)19)6-11(8-12)16-22-13(2,3)14(4,5)23-16/h6-8H,1-5H3,(H,20,21)
InChIKey YMUFDFRNXHUJLZ-UHFFFAOYSA-N
Molecular Weight 329.126 g/mol
SMILES C=1(B2OC(C(O2)(C)C)(C)C)C=C(C=C(NC(=O)C)C1)C(F)(F)F