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Mdai N,N-bis(3-trifluoromethylbenzyl)

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

Mdai N,N-bis(3-trifluoromethylbenzyl)
SpectraBase Compound ID HfrLGx8FXBV
InChI InChI=1S/C26H21F6NO2/c27-25(28,29)20-5-1-3-16(7-20)13-33(14-17-4-2-6-21(8-17)26(30,31)32)22-9-18-11-23-24(35-15-34-23)12-19(18)10-22/h1-8,11-12,22H,9-10,13-15H2
InChIKey IGYGTPPOENIGRM-UHFFFAOYSA-N
Mol Weight 493.45 g/mol
Molecular Formula C26H21F6NO2
Exact Mass 493.147648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Y3iWXpa2WC
Name Mdai N,N-bis(3-trifluoromethylbenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.147647896 u
Formula C26H21F6NO2
InChI InChI=1S/C26H21F6NO2/c27-25(28,29)20-5-1-3-16(7-20)13-33(14-17-4-2-6-21(8-17)26(30,31)32)22-9-18-11-23-24(35-15-34-23)12-19(18)10-22/h1-8,11-12,22H,9-10,13-15H2
InChIKey IGYGTPPOENIGRM-UHFFFAOYSA-N
Molecular Weight 493.449 g/mol
SMILES C=12C(CC(N(CC=3C=C(C(F)(F)F)C=CC3)CC=3C=C(C(F)(F)F)C=CC3)C2)=CC2=C(C1)OCO2