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4-Acetamido-benzoic acid
SpectraBase Compound ID 4uMXWHPMJYy
InChI InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey QCXJEYYXVJIFCE-UHFFFAOYSA-N
Mol Weight 179.18 g/mol
Molecular Formula C9H9NO3
Exact Mass 179.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtTKuewKnJQ
Name 4-Aminobenzoic acid AC @
Classification Local anesthetic
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Exact Mass 179.058243151 u
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey QCXJEYYXVJIFCE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 179.175 g/mol
Related CAS Registry Number(s) 59-46-1
SMILES c1cc(ccc1NC(C)=O)C(O)=O
SPLASH splash10-0079-4900000000-b41f5ae0d52152372a16
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.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Benzocaine-M (PABA) AC Procaine-M (PABA) AC
Technique GC/MS
Wiley ID MMPW6e_3298