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2,2,2-trifluoro-N-(4-methoxyphenyl)-N'-(4-trityloxyphenyl)acetamidine
SpectraBase Compound ID BIbmUWfZTUg
InChI InChI=1S/C34H27F3N2O2/c1-40-30-21-17-28(18-22-30)38-32(34(35,36)37)39-29-19-23-31(24-20-29)41-33(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-24H,1H3,(H,38,39)
InChIKey UFIXGNHCZYIQCD-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C34H27F3N2O2
Exact Mass 552.202463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fbs3fYSct47
Name 2,2,2-Trifluoro-N-(4-methoxyphenyl)-N'-(4-trityloxyphenyl)acetamidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.202462604 u
Formula C34H27F3N2O2
InChI InChI=1S/C34H27F3N2O2/c1-40-30-21-17-28(18-22-30)38-32(34(35,36)37)39-29-19-23-31(24-20-29)41-33(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-24H,1H3,(H,38,39)
InChIKey UFIXGNHCZYIQCD-UHFFFAOYSA-N
Molecular Weight 552.597 g/mol
SMILES C(\C(=N\C1=CC=C(OC(C2=CC=CC=C2)(C=2C=CC=CC2)C=2C=CC=CC2)C=C1)NC=1C=CC(=CC1)OC)(F)(F)F