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3-THAP m-toluoyl
SpectraBase Compound ID Bmp4Y0hEhti
InChI InChI=1S/C15H17NOS/c1-11-4-3-5-14(8-11)15(17)16-12(2)9-13-6-7-18-10-13/h3-8,10,12H,9H2,1-2H3,(H,16,17)
InChIKey LVRQKOITUDMAPL-UHFFFAOYSA-N
Mol Weight 259.37 g/mol
Molecular Formula C15H17NOS
Exact Mass 259.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JzDMSJukkq
Name 3-THAP m-toluoyl
Classification Aminoethylthiophene 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 259.103085344 u
Formula C15H17NOS
InChI InChI=1S/C15H17NOS/c1-11-4-3-5-14(8-11)15(17)16-12(2)9-13-6-7-18-10-13/h3-8,10,12H,9H2,1-2H3,(H,16,17)
InChIKey LVRQKOITUDMAPL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 259.367 g/mol
Nominal Mass 259 u
Quality 891
Retention Index 2295
SMILES C(C=1C=C(C=CC1)C)(NC(CC1=CSC=C1)C)=O
SPLASH splash10-014i-3900000000-75d7c8fdbb1f08e9bcd1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Methyl-N-[1-(thiophen-3-yl)propan-2-yl]benzamide
Technique GC/MS
Wiley ID DD2024_022923