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3-Indolylmethylketone 2TFA
SpectraBase Compound ID 50rOfJZ1bFY
InChI InChI=1S/C14H7F6NO3/c1-7(24-12(23)14(18,19)20)9-6-21(11(22)13(15,16)17)10-5-3-2-4-8(9)10/h2-6H,1H2
InChIKey NEOAMUSRFPHASR-UHFFFAOYSA-N
Mol Weight 351.2 g/mol
Molecular Formula C14H7F6NO3
Exact Mass 351.033012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z2bSpfkZc
Name 3-Indolylmethylketone 2TFA
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 351.033012064 u
Formula C14H7F6NO3
InChI InChI=1S/C14H7F6NO3/c1-7(24-12(23)14(18,19)20)9-6-21(11(22)13(15,16)17)10-5-3-2-4-8(9)10/h2-6H,1H2
InChIKey NEOAMUSRFPHASR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 351.204 g/mol
Nominal Mass 351 u
Quality 996
Retention Index 2570
SMILES C=12N(C(C(F)(F)F)=O)C=C(C2=CC=CC1)C(OC(C(F)(F)F)=O)=C
SPLASH splash10-0fr6-5983000000-2a48d2d4cff54c2d2348
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(1-(trifluoroacetyl)-1H-indol-3-yl)ethenyl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_001731