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5-TOET N,N-bis(2-fluorobenzyl)
SpectraBase Compound ID J6dUTxik3f1
InChI InChI=1S/C27H31F2NOS/c1-5-20-15-26(31-3)23(16-27(20)32-4)14-19(2)30(17-21-10-6-8-12-24(21)28)18-22-11-7-9-13-25(22)29/h6-13,15-16,19H,5,14,17-18H2,1-4H3
InChIKey BLXCEXZBHOQNAD-UHFFFAOYSA-N
Mol Weight 455.61 g/mol
Molecular Formula C27H31F2NOS
Exact Mass 455.209442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlwGgx2lATA
Name 5-TOET N,N-bis(2-fluorobenzyl)
Classification Amphetamine designer drug
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 455.209442121 u
Formula C27H31F2NOS
InChI InChI=1S/C27H31F2NOS/c1-5-20-15-26(31-3)23(16-27(20)32-4)14-19(2)30(17-21-10-6-8-12-24(21)28)18-22-11-7-9-13-25(22)29/h6-13,15-16,19H,5,14,17-18H2,1-4H3
InChIKey BLXCEXZBHOQNAD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 455.608 g/mol
Nominal Mass 455 u
Quality 991
Retention Index 3054
SMILES C=1(C(=CC(=C(C1)SC)CC)OC)CC(N(CC1=C(C=CC=C1)F)CC=1C(=CC=CC1)F)C
SPLASH splash10-03di-0490000000-190897e476794751493a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(2-fluorobenzyl)-1-[4-ethyl-2-methoxy-5-methylthiophenyl]propan-2-amine 1-(4-ethyl-2-methoxy-5-methylthiophenyl)-N,N-bis(2-fluorobenzyl)propan-2-amine
Technique GC/MS
Wiley ID DD2024_020739