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3H-indol-3-one, 1,2-dihydro-2-[[4-(trifluoromethyl)phenyl]methylene]-, (2E)-
SpectraBase Compound ID 9GjZSCm1Vd8
InChI InChI=1S/C16H10F3NO/c17-16(18,19)11-7-5-10(6-8-11)9-14-15(21)12-3-1-2-4-13(12)20-14/h1-9,20H/b14-9+
InChIKey AONDBFWULZJMII-NTEUORMPSA-N
Mol Weight 289.26 g/mol
Molecular Formula C16H10F3NO
Exact Mass 289.071448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUfdRacqTUm
Name 3H-Indol-3-one, 1,2-dihydro-2-[[4-(trifluoromethyl)phenyl]methylene]-, (2E)-
Comments Computed using HOSE algorithm
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Exact Mass 289.071448434 u
Formula C16H10F3NO
InChI InChI=1S/C16H10F3NO/c17-16(18,19)11-7-5-10(6-8-11)9-14-15(21)12-3-1-2-4-13(12)20-14/h1-9,20H/b14-9+
InChIKey AONDBFWULZJMII-NTEUORMPSA-N
Molecular Weight 289.257 g/mol
SMILES N1C2=C(C(\C1=C\C=1C=CC(=CC1)C(F)(F)F)=O)C=CC=C2