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3C-DFE N,N-bis(3-trifluoromethylbenzyl)
SpectraBase Compound ID FMdXO0e2Rfl
InChI InChI=1S/C29H29F8NO3/c1-18(10-21-13-24(39-2)27(25(14-21)40-3)41-17-26(30)31)38(15-19-6-4-8-22(11-19)28(32,33)34)16-20-7-5-9-23(12-20)29(35,36)37/h4-9,11-14,18,26H,10,15-17H2,1-3H3
InChIKey MTVLBMILFOPBNC-UHFFFAOYSA-N
Mol Weight 591.54 g/mol
Molecular Formula C29H29F8NO3
Exact Mass 591.201969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVbBS2PdE0m
Name 3C-DFE N,N-bis(3-trifluoromethylbenzyl)
Classification Amphetamine designer drug, stimulant, hallucinogenic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 591.201969099 u
Formula C29H29F8NO3
InChI InChI=1S/C29H29F8NO3/c1-18(10-21-13-24(39-2)27(25(14-21)40-3)41-17-26(30)31)38(15-19-6-4-8-22(11-19)28(32,33)34)16-20-7-5-9-23(12-20)29(35,36)37/h4-9,11-14,18,26H,10,15-17H2,1-3H3
InChIKey MTVLBMILFOPBNC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 591.542 g/mol
Nominal Mass 591 u
Quality 987
Retention Index 2842
SMILES C=1(C(=CC(=CC1OC)CC(N(CC=1C=C(C(F)(F)F)C=CC1)CC=1C=C(C(F)(F)F)C=CC1)C)OC)OCC(F)F
SPLASH splash10-03di-0709000000-51617ac38c644d909eb6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-trifluoromethylbenzyl)-4-(2,2-difluoroethoxy)-3,5-dimethoxyamphetamine 1-(4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl)-N,N-bis(3-(trifluoromethyl)benzyl)propan-2-amine
Technique GC/MS
Wiley ID DD2024_020957