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2C-T-21.5 N,N-bis(3-trifluoromethylbenzyl)
SpectraBase Compound ID JhABUW1IgfK
InChI InChI=1S/C28H27F8NO2S/c1-38-23-14-25(40-17-26(29)30)24(39-2)13-20(23)9-10-37(15-18-5-3-7-21(11-18)27(31,32)33)16-19-6-4-8-22(12-19)28(34,35)36/h3-8,11-14,26H,9-10,15-17H2,1-2H3
InChIKey BLRQIEPDILUIIN-UHFFFAOYSA-N
Mol Weight 593.58 g/mol
Molecular Formula C28H27F8NO2S
Exact Mass 593.163476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lLTLFSIpk0
Name 2C-T-21.5 N,N-bis(3-trifluoromethylbenzyl)
Classification Phenethylamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 593.163475589 u
Formula C28H27F8NO2S
InChI InChI=1S/C28H27F8NO2S/c1-38-23-14-25(40-17-26(29)30)24(39-2)13-20(23)9-10-37(15-18-5-3-7-21(11-18)27(31,32)33)16-19-6-4-8-22(12-19)28(34,35)36/h3-8,11-14,26H,9-10,15-17H2,1-2H3
InChIKey BLRQIEPDILUIIN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 593.576 g/mol
Nominal Mass 593 u
Quality 969
Retention Index 2932
SMILES C=1(C(=CC(=C(C1)OC)SCC(F)F)OC)CCN(CC=1C=C(C(F)(F)F)C=CC1)CC=1C=C(C(F)(F)F)C=CC1
SPLASH splash10-052b-0809000000-8db0bbeec7f34ed7f609
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-trifluoromethylbenzyl)-4-(2,2-difluoroethylthio)-2,5-dimethoxyphenethylamine 2-(4-((2,2-difluoroethyl)sulfanyl)-2,5-dimethoxyphenyl)-N,N-bis(3-(trifluoromethyl)benzyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_020945