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DOYN N,N-bis(3-trifluoromethylbenzyl)
SpectraBase Compound ID DQereNrZU7b
InChI InChI=1S/C29H27F6NO2/c1-5-22-15-27(38-4)23(16-26(22)37-3)12-19(2)36(17-20-8-6-10-24(13-20)28(30,31)32)18-21-9-7-11-25(14-21)29(33,34)35/h1,6-11,13-16,19H,12,17-18H2,2-4H3
InChIKey LDHUQRLJLPJBMB-UHFFFAOYSA-N
Mol Weight 535.53 g/mol
Molecular Formula C29H27F6NO2
Exact Mass 535.194598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmU7ZnOuV6m
Name DOYN N,N-bis(3-trifluoromethylbenzyl)
Classification Amphetamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 535.194598089 u
Formula C29H27F6NO2
InChI InChI=1S/C29H27F6NO2/c1-5-22-15-27(38-4)23(16-26(22)37-3)12-19(2)36(17-20-8-6-10-24(13-20)28(30,31)32)18-21-9-7-11-25(14-21)29(33,34)35/h1,6-11,13-16,19H,12,17-18H2,2-4H3
InChIKey LDHUQRLJLPJBMB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 535.530 g/mol
Nominal Mass 535 u
Quality 998
Retention Index 2798
SMILES C=1(C(=CC(=C(C1)OC)C#C)OC)CC(N(CC=1C=C(C(F)(F)F)C=CC1)CC=1C=C(C(F)(F)F)C=CC1)C
SPLASH splash10-08fr-1609000000-6d25c4ce144849d92da8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-Ethynyl-2,5-dimethoxyphenyl)-N,N-bis(3-trifluoromethylbenzyl)propan-2-amine
Technique GC/MS
Wiley ID DD2024_022074