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5-Trifluoroacyloxy-5-benzyl-1,2,3,4-tetraphenylcyclopentadien

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5-Trifluoroacyloxy-5-benzyl-1,2,3,4-tetraphenylcyclopentadien
SpectraBase Compound ID Doc25gDSO51
InChI InChI=1S/C38H27F3O2/c39-38(40,41)36(42)43-37(26-27-16-6-1-7-17-27)34(30-22-12-4-13-23-30)32(28-18-8-2-9-19-28)33(29-20-10-3-11-21-29)35(37)31-24-14-5-15-25-31/h1-25H,26H2
InChIKey PKBNWXMABFPUSA-UHFFFAOYSA-N
Mol Weight 572.6 g/mol
Molecular Formula C38H27F3O2
Exact Mass 572.196315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4yqQlVRIJg
Name 5-Trifluoroacyloxy-5-benzyl-1,2,3,4-tetraphenylcyclopentadien
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.196314596 u
Formula C38H27F3O2
InChI InChI=1S/C38H27F3O2/c39-38(40,41)36(42)43-37(26-27-16-6-1-7-17-27)34(30-22-12-4-13-23-30)32(28-18-8-2-9-19-28)33(29-20-10-3-11-21-29)35(37)31-24-14-5-15-25-31/h1-25H,26H2
InChIKey PKBNWXMABFPUSA-UHFFFAOYSA-N
Molecular Weight 572.627 g/mol
SMILES C(OC1(C(C2=CC=CC=C2)=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1C1=CC=CC=C1)CC1=CC=CC=C1)(C(F)(F)F)=O