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3-Indolylmethylketone TFA
SpectraBase Compound ID L2NrsSr4OV2
InChI InChI=1S/C12H8F3NO2/c1-7(17)9-6-16(11(18)12(13,14)15)10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey OVKWLOIIAMKEDR-UHFFFAOYSA-N
Mol Weight 255.2 g/mol
Molecular Formula C12H8F3NO2
Exact Mass 255.050713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oElN14BSy
Name 3-Indolylmethylketone TFA
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 255.050712989 u
Formula C12H8F3NO2
InChI InChI=1S/C12H8F3NO2/c1-7(17)9-6-16(11(18)12(13,14)15)10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey OVKWLOIIAMKEDR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 255.196 g/mol
Nominal Mass 255 u
Quality 993
Retention Index 1920
SMILES C=12N(C(C(F)(F)F)=O)C=C(C2=CC=CC1)C(=O)C
SPLASH splash10-052f-3690000000-eee48c6ead79e8a5b9b8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-acetyl-1H-indol-1-yl)-2,2,2-trifluoroethan-1-one
Technique GC/MS
Wiley ID DD2024_001732