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psi-Mtfem N,N-bis(3-trifluoromethylbenzyl)

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psi-Mtfem N,N-bis(3-trifluoromethylbenzyl)
SpectraBase Compound ID ICjmdMMA0U2
InChI InChI=1S/C29H28F9NO3/c1-18(10-24-25(40-2)13-23(14-26(24)41-3)42-17-27(30,31)32)39(15-19-6-4-8-21(11-19)28(33,34)35)16-20-7-5-9-22(12-20)29(36,37)38/h4-9,11-14,18H,10,15-17H2,1-3H3
InChIKey HDQBPFMXYYHQKL-UHFFFAOYSA-N
Mol Weight 609.53 g/mol
Molecular Formula C29H28F9NO3
Exact Mass 609.192547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZczK1cwz6c
Name psi-Mtfem N,N-bis(3-trifluoromethylbenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.192547230 u
Formula C29H28F9NO3
InChI InChI=1S/C29H28F9NO3/c1-18(10-24-25(40-2)13-23(14-26(24)41-3)42-17-27(30,31)32)39(15-19-6-4-8-21(11-19)28(33,34)35)16-20-7-5-9-22(12-20)29(36,37)38/h4-9,11-14,18H,10,15-17H2,1-3H3
InChIKey HDQBPFMXYYHQKL-UHFFFAOYSA-N
Molecular Weight 609.533 g/mol
SMILES C=1(C(=CC(=CC1OC)OCC(F)(F)F)OC)CC(N(CC=1C=C(C(F)(F)F)C=CC1)CC1=CC(C(F)(F)F)=CC=C1)C