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1-(3,4-Methylenedioxyphenyl)butan-2-amine 2TFA
SpectraBase Compound ID Aa0oTsC0KAu
InChI InChI=1S/C15H13F6NO4/c1-2-8(22-13(24)15(19,20)21)3-7-4-9(12(23)14(16,17)18)11-10(5-7)25-6-26-11/h4-5,8H,2-3,6H2,1H3,(H,22,24)
InChIKey DSWCLYXZKJERSI-UHFFFAOYSA-N
Mol Weight 385.26 g/mol
Molecular Formula C15H13F6NO4
Exact Mass 385.074877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WwhvgNx47c
Name 1-(3,4-Methylenedioxyphenyl)butan-2-amine 2TFA
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 385.074876877 u
Formula C15H13F6NO4
InChI InChI=1S/C15H13F6NO4/c1-2-8(22-13(24)15(19,20)21)3-7-4-9(12(23)14(16,17)18)11-10(5-7)25-6-26-11/h4-5,8H,2-3,6H2,1H3,(H,22,24)
InChIKey DSWCLYXZKJERSI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 385.262 g/mol
Nominal Mass 385 u
Quality 856
Retention Index 2803
SMILES C1(=C2C(=CC(=C1)CC(NC(C(F)(F)F)=O)CC)OCO2)C(C(F)(F)F)=O
SPLASH splash10-004r-1900000000-4dfcd6ae975cf958192e
Sample Comments TFA position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trifluoro-N-(1-(7-(trifluoroacetyl)-1,3-benzodioxol-5-yl)butan-2-yl)acetamide
Technique GC/MS
Wiley ID DD2024_002203