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mal N,N-bis(3-Trifluoromethylbenzyl)

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mal N,N-bis(3-Trifluoromethylbenzyl)
SpectraBase Compound ID EYNJY6kUrCJ
InChI InChI=1S/C30H31F6NO3/c1-20(2)19-40-28-26(38-3)15-21(16-27(28)39-4)11-12-37(17-22-7-5-9-24(13-22)29(31,32)33)18-23-8-6-10-25(14-23)30(34,35)36/h5-10,13-16H,1,11-12,17-19H2,2-4H3
InChIKey UIHPTNMIFWOYPF-UHFFFAOYSA-N
Mol Weight 567.57 g/mol
Molecular Formula C30H31F6NO3
Exact Mass 567.220813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kBMwDT1Roc
Name mal N,N-bis(3-Trifluoromethylbenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.220812837 u
Formula C30H31F6NO3
InChI InChI=1S/C30H31F6NO3/c1-20(2)19-40-28-26(38-3)15-21(16-27(28)39-4)11-12-37(17-22-7-5-9-24(13-22)29(31,32)33)18-23-8-6-10-25(14-23)30(34,35)36/h5-10,13-16H,1,11-12,17-19H2,2-4H3
InChIKey UIHPTNMIFWOYPF-UHFFFAOYSA-N
Molecular Weight 567.572 g/mol
SMILES C1(=C(C=C(C=C1OC)CCN(CC=1C=C(C(F)(F)F)C=CC1)CC1=CC(C(F)(F)F)=CC=C1)OC)OCC(=C)C