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1-(3,4-Methylenedioxyphenyl)butan-2-amine TFA
SpectraBase Compound ID 2tbv4Ogp2Ql
InChI InChI=1S/C13H14F3NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18)
InChIKey JNYNPFJMLYQJQC-UHFFFAOYSA-N
Mol Weight 289.25 g/mol
Molecular Formula C13H14F3NO3
Exact Mass 289.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFjMpAuSXQG
Name 1-(3,4-Methylenedioxyphenyl)butan-2-amine TFA
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 289.092577801 u
Formula C13H14F3NO3
InChI InChI=1S/C13H14F3NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18)
InChIKey JNYNPFJMLYQJQC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 289.254 g/mol
Nominal Mass 289 u
Quality 907
Retention Index 1684
SMILES C(NC(CC=1C=C2C(=CC1)OCO2)CC)(C(F)(F)F)=O
SPLASH splash10-004r-1910000000-2e07b267d07da48cbcb7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms BDB TFA trifluoro-N-(1-(7-(trifluoroacetyl)-1,3-benzodioxol-5-yl)butan-2-yl)acetamide
Technique GC/MS
Wiley ID DD2024_002204