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3-Chlorobenzoic acid
SpectraBase Compound ID EAOQ9USqV29
InChI InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LULAYUGMBFYYEX-UHFFFAOYSA-N
Mol Weight 156.57 g/mol
Molecular Formula C7H5ClO2
Exact Mass 155.997807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hjhBzCQXmp
Name Bupropion-M (Cl-benzoic acid) @
CAS Registry Number 535-80-8
Classification Antidepressant Chemical
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Exact Mass 155.997807099 u
Formula C7H5ClO2
InChI InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LULAYUGMBFYYEX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 156.568 g/mol
SMILES c1c(cc(Cl)cc1)C(O)=O
SPLASH splash10-06tr-3900000000-6fcbe6707c5607a4681c
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 Amfebutamone-M (3-chlorobenzoic acid) Bupropion-M (3-chlorobenzoic acid) 3-Chlorobenzoic acid
Technique GC/MS
Wiley ID MMPW6e_6024