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alpha-Methyltryptamine 3TFA
SpectraBase Compound ID JyBwvGpa1aJ
InChI InChI=1S/C17H11F9N2O3/c1-7(27-13(30)16(21,22)23)4-9-6-28(14(31)17(24,25)26)11-3-2-8(5-10(9)11)12(29)15(18,19)20/h2-3,5-7H,4H2,1H3,(H,27,30)
InChIKey VGIRJUUHGCGHLU-UHFFFAOYSA-N
Mol Weight 462.27 g/mol
Molecular Formula C17H11F9N2O3
Exact Mass 462.062596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7aGXS1JSRJ
Name alpha-Methyltryptamine 3TFA
Classification Tryptamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 462.062595686 u
Formula C17H11F9N2O3
InChI InChI=1S/C17H11F9N2O3/c1-7(27-13(30)16(21,22)23)4-9-6-28(14(31)17(24,25)26)11-3-2-8(5-10(9)11)12(29)15(18,19)20/h2-3,5-7H,4H2,1H3,(H,27,30)
InChIKey VGIRJUUHGCGHLU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 462.272 g/mol
Nominal Mass 462 u
Quality 978
Retention Index 2300
SMILES C=12C(N(C=C2CC(NC(C(F)(F)F)=O)C)C(C(F)(F)F)=O)=CC=C(C1)C(C(F)(F)F)=O
SPLASH splash10-0hk9-3984300000-9d79f600f9bd654305ed
Sample Comments TFA position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-(1,5-bis(trifluoroacetyl)-1H-indol-3-yl)propan-2-yl)(trifluoro)acetamide
Technique GC/MS
Wiley ID DD2024_017772