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N,N-Bis(3-trifluoromethylbenzyl)beta-methylbenzeneethanamine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N,N-Bis(3-trifluoromethylbenzyl)beta-methylbenzeneethanamine
SpectraBase Compound ID 608TQ56Gcsb
InChI InChI=1S/C25H23F6N/c1-18(21-9-3-2-4-10-21)15-32(16-19-7-5-11-22(13-19)24(26,27)28)17-20-8-6-12-23(14-20)25(29,30)31/h2-14,18H,15-17H2,1H3
InChIKey OFKIMNUXZQNOKZ-UHFFFAOYSA-N
Mol Weight 451.46 g/mol
Molecular Formula C25H23F6N
Exact Mass 451.173469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ppxf9zTrwS
Name N,N-bis(3-Trifluoromethylbenzyl)beta-methylbenzeneethanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.173468723 u
Formula C25H23F6N
InChI InChI=1S/C25H23F6N/c1-18(21-9-3-2-4-10-21)15-32(16-19-7-5-11-22(13-19)24(26,27)28)17-20-8-6-12-23(14-20)25(29,30)31/h2-14,18H,15-17H2,1H3
InChIKey OFKIMNUXZQNOKZ-UHFFFAOYSA-N
Molecular Weight 451.456 g/mol
SMILES C(C1=CC(CN(CC=2C=C(C(F)(F)F)C=CC2)CC(C=2C=CC=CC2)C)=CC=C1)(F)(F)F