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1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-.alpha.-oxo-N-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID DkaWO3u68Iq
InChI InChI=1S/C24H16ClF3N2O2/c25-17-9-5-15(6-10-17)13-30-14-20(19-3-1-2-4-21(19)30)22(31)23(32)29-18-11-7-16(8-12-18)24(26,27)28/h1-12,14H,13H2,(H,29,32)
InChIKey YFFGQLOTPXIAQE-UHFFFAOYSA-N
Mol Weight 456.85 g/mol
Molecular Formula C24H16ClF3N2O2
Exact Mass 456.08524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8e7hsRG9OLU
Name 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-.alpha.-oxo-N-[4-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.085239950 u
Formula C24H16ClF3N2O2
InChI InChI=1S/C24H16ClF3N2O2/c25-17-9-5-15(6-10-17)13-30-14-20(19-3-1-2-4-21(19)30)22(31)23(32)29-18-11-7-16(8-12-18)24(26,27)28/h1-12,14H,13H2,(H,29,32)
InChIKey YFFGQLOTPXIAQE-UHFFFAOYSA-N
Molecular Weight 456.852 g/mol
SMILES C=1C2=C(C=CC1)C(=CN2CC=1C=CC(=CC1)Cl)C(C(NC1=CC=C(C=C1)C(F)(F)F)=O)=O