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N,N-bis-(3-Trifluoromethylbenzyl)-2,6-dimethoxy-4-(2-methyl-2-propenoxy)amphetamine

View entire compound with spectra: 1 NMR

N,N-bis-(3-Trifluoromethylbenzyl)-2,6-dimethoxy-4-(2-methyl-2-propenoxy)amphetamine
SpectraBase Compound ID 3oeASDLO8M3
InChI InChI=1S/C31H33F6NO3/c1-20(2)19-41-26-15-28(39-4)27(29(16-26)40-5)12-21(3)38(17-22-8-6-10-24(13-22)30(32,33)34)18-23-9-7-11-25(14-23)31(35,36)37/h6-11,13-16,21H,1,12,17-19H2,2-5H3
InChIKey VPXCKIXDQBFSHS-UHFFFAOYSA-N
Mol Weight 581.6 g/mol
Molecular Formula C31H33F6NO3
Exact Mass 581.236463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZnuKZtePnE
Name N,N-bis-(3-Trifluoromethylbenzyl)-2,6-dimethoxy-4-(2-methyl-2-propenoxy)amphetamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 581.236462902 u
Formula C31H33F6NO3
InChI InChI=1S/C31H33F6NO3/c1-20(2)19-41-26-15-28(39-4)27(29(16-26)40-5)12-21(3)38(17-22-8-6-10-24(13-22)30(32,33)34)18-23-9-7-11-25(14-23)31(35,36)37/h6-11,13-16,21H,1,12,17-19H2,2-5H3
InChIKey VPXCKIXDQBFSHS-UHFFFAOYSA-N
Molecular Weight 581.599 g/mol
SMILES C=1(C(=CC(=CC1OC)OCC(=C)C)OC)CC(N(CC=1C=C(C(F)(F)F)C=CC1)CC1=CC(C(F)(F)F)=CC=C1)C