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1-(2-Fluorophenyl)-2-(butylamino)prop-2-en-1-one
SpectraBase Compound ID IT1xTyCmQNJ
InChI InChI=1S/C13H16FNO/c1-3-4-9-15-10(2)13(16)11-7-5-6-8-12(11)14/h5-8,15H,2-4,9H2,1H3
InChIKey QEESPRNAEBMKQN-UHFFFAOYSA-N
Mol Weight 221.28 g/mol
Molecular Formula C13H16FNO
Exact Mass 221.121592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIzckYlfe64
Name 1-(2-Fluorophenyl)-2-(butylamino)prop-2-en-1-one
Classification Designer drug side product
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 221.121592301 u
Formula C13H16FNO
InChI InChI=1S/C13H16FNO/c1-3-4-9-15-10(2)13(16)11-7-5-6-8-12(11)14/h5-8,15H,2-4,9H2,1H3
InChIKey QEESPRNAEBMKQN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 221.275 g/mol
Nominal Mass 221 u
Quality 951
Retention Index 1534
SMILES C1(C(C(NCCCC)=C)=O)=C(C=CC=C1)F
SPLASH splash10-0002-9300000000-d512b25fd3df9d1d46a9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(butylamino)-1-(2-fluorophenyl)prop-2-en-1-one
Technique GC/MS
Wiley ID DD2024_012343