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1-(3-Chlorophenyl)-2-tert-butylamino-1-propanone TFA
SpectraBase Compound ID BBu5W6GV1gG
InChI InChI=1S/C15H17ClF3NO2/c1-9(12(21)10-6-5-7-11(16)8-10)20(14(2,3)4)13(22)15(17,18)19/h5-9H,1-4H3
InChIKey KLTUXVVVZKELML-UHFFFAOYSA-N
Mol Weight 335.75 g/mol
Molecular Formula C15H17ClF3NO2
Exact Mass 335.089991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JZ7RnFhWaG
Name 1-(3-Chlorophenyl)-2-tert-butylamino-1-propanone TFA
Classification Cathinone analog designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 335.089990978 u
Formula C15H17ClF3NO2
InChI InChI=1S/C15H17ClF3NO2/c1-9(12(21)10-6-5-7-11(16)8-10)20(14(2,3)4)13(22)15(17,18)19/h5-9H,1-4H3
InChIKey KLTUXVVVZKELML-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 335.754 g/mol
Nominal Mass 335 u
Quality 997
Retention Index 2394
SMILES C(N(C(C(C=1C=C(C=CC1)Cl)=O)C)C(C(F)(F)F)=O)(C)(C)C
SPLASH splash10-0a4i-9500000000-f022a4d4b036b3856479
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-tert-Butyl-N-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide
Technique GC/MS
Wiley ID DD2024_000650