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2C-TBU N,N-bis(3-fluorobenzyl)
SpectraBase Compound ID 549xcdgjZPD
InChI InChI=1S/C28H33F2NO2/c1-28(2,3)25-17-26(32-4)22(16-27(25)33-5)12-13-31(18-20-8-6-10-23(29)14-20)19-21-9-7-11-24(30)15-21/h6-11,14-17H,12-13,18-19H2,1-5H3
InChIKey ZVBUYPJMZSZAHO-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C28H33F2NO2
Exact Mass 453.247936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l4P50vWPke
Name 2C-TBU N,N-bis(3-fluorobenzyl)
Classification Phenethylamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 453.247935631 u
Formula C28H33F2NO2
InChI InChI=1S/C28H33F2NO2/c1-28(2,3)25-17-26(32-4)22(16-27(25)33-5)12-13-31(18-20-8-6-10-23(29)14-20)19-21-9-7-11-24(30)15-21/h6-11,14-17H,12-13,18-19H2,1-5H3
InChIKey ZVBUYPJMZSZAHO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 453.574 g/mol
Nominal Mass 453 u
Quality 822
Retention Index 2874
SMILES C1(=C(C=C(C(=C1)OC)CCN(CC=1C=C(C=CC1)F)CC=1C=C(C=CC1)F)OC)C(C)(C)C
SPLASH splash10-0a4j-1950000000-fa33b821cbe83255fc83
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-fluorobenzyl)-4-tert-butyl-2,5-dimethoxyphenethylamine N,N-Bis(3-fluorobenzyl)2-(4-tert-butyl-2,5-dimethoxyphenyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_021108