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5-TOET 2-toluoyl
SpectraBase Compound ID 3GiENUF0WsJ
InChI InChI=1S/C21H27NO2S/c1-6-16-12-19(24-4)17(13-20(16)25-5)11-15(3)22-21(23)18-10-8-7-9-14(18)2/h7-10,12-13,15H,6,11H2,1-5H3,(H,22,23)
InChIKey RVVCMUPQHOVPCP-UHFFFAOYSA-N
Mol Weight 357.51 g/mol
Molecular Formula C21H27NO2S
Exact Mass 357.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dnz2w5eAJAu
Name 5-TOET 2-toluoyl
Classification Amphetamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 357.176250285 u
Formula C21H27NO2S
InChI InChI=1S/C21H27NO2S/c1-6-16-12-19(24-4)17(13-20(16)25-5)11-15(3)22-21(23)18-10-8-7-9-14(18)2/h7-10,12-13,15H,6,11H2,1-5H3,(H,22,23)
InChIKey RVVCMUPQHOVPCP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 357.512 g/mol
Nominal Mass 357 u
Quality 999
Retention Index 2759
SMILES C=1(C(=CC(=C(C1)SC)CC)OC)CC(NC(C=1C(=CC=CC1)C)=O)C
SPLASH splash10-01b9-2951000000-2536fd475ccbe720945b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-[4-Ethyl-2-methoxy-5-methylthiophenyl]propan-2-yl)-2-methylbenzamide
Technique GC/MS
Wiley ID DD2024_023149