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N,N-Dibenzyl-4-(2,2-difluoroethoxy)-3,5-dimethoxyphenethylamine

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N,N-Dibenzyl-4-(2,2-difluoroethoxy)-3,5-dimethoxyphenethylamine
SpectraBase Compound ID 6DyXZvmNucC
InChI InChI=1S/C26H29F2NO3/c1-30-23-15-22(16-24(31-2)26(23)32-19-25(27)28)13-14-29(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-12,15-16,25H,13-14,17-19H2,1-2H3
InChIKey URLOGDKEEBHVEB-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C26H29F2NO3
Exact Mass 441.21155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gwduX3b8J2
Name N,N-Dibenzyl-4-(2,2-difluoroethoxy)-3,5-dimethoxyphenethylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.211550121 u
Formula C26H29F2NO3
InChI InChI=1S/C26H29F2NO3/c1-30-23-15-22(16-24(31-2)26(23)32-19-25(27)28)13-14-29(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-12,15-16,25H,13-14,17-19H2,1-2H3
InChIKey URLOGDKEEBHVEB-UHFFFAOYSA-N
Molecular Weight 441.519 g/mol
SMILES C1(=C(C=C(C=C1OC)CCN(CC1=CC=CC=C1)CC=1C=CC=CC1)OC)OCC(F)F