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Bupropion
SpectraBase Compound ID ICxPjJhb50a
InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
InChIKey SNPPWIUOZRMYNY-UHFFFAOYSA-N
Mol Weight 239.75 g/mol
Molecular Formula C13H18ClNO
Exact Mass 239.107692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dk3tKgxy4zQ
Name Bupropion
CAS Registry Number 34911-55-2
Classification Pharmaceutical drug, sympathomimetic, antidepressant
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 239.107691903 u
Formula C13H18ClNO
InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
InChIKey SNPPWIUOZRMYNY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.746 g/mol
Nominal Mass 239 u
Quality 995
Retention Index 1782
SMILES C(NC(C)(C)C)(C(C1=CC(=CC=C1)Cl)=O)C
SPLASH splash10-0006-9300000000-0b43410963eefd13ca40
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Amfebutamon Amfebutamone Anfebutamona Zyban (R,S)-2-(tert-Butylamino)-3'-chloro-propiophenone
Technique GC/MS
Wiley ID DD2024_000374