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Paracetamol TFA
SpectraBase Compound ID 4RESOrG3DDa
InChI InChI=1S/C10H8F3NO3/c1-6(15)14-7-2-4-8(5-3-7)17-9(16)10(11,12)13/h2-5H,1H3,(H,14,15)
InChIKey QBXUIWWRAZZXHQ-UHFFFAOYSA-N
Mol Weight 247.17 g/mol
Molecular Formula C10H8F3NO3
Exact Mass 247.045628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XWkQqrS0sQ
Name Paracetamol TFA @
Classification Chemical Analgesic
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Exact Mass 247.045627608 u
Formula C10H8F3NO3
InChI InChI=1S/C10H8F3NO3/c1-6(15)14-7-2-4-8(5-3-7)17-9(16)10(11,12)13/h2-5H,1H3,(H,14,15)
InChIKey QBXUIWWRAZZXHQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 247.173 g/mol
SMILES C(C(Oc1ccc(NC(=O)C)cc1)=O)(F)(F)F
SPLASH splash10-0a4i-8930000000-53eca647f35d50a43668
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Acetaminophen TFA MeOPP-M (4-aminophenol N-acetyl-) TFA Phenacetin-M TFA
Technique GC/MS
Wiley ID MMPW6e_5092