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4-Aminobenzoic acid
SpectraBase Compound ID Ls4wUwjOUbF
InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey ALYNCZNDIQEVRV-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L43i6JaF5TC
Name 4-Aminobenzoic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 150-13-0 8014-65-1
ChEBI ID 30753
Comments 100 mM 4-amino-benzoic acid - vendor: Sigma a9878; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C7H7NO2
IUPAC Name 4-aminobenzoic acid
InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey ALYNCZNDIQEVRV-UHFFFAOYSA-N
KEGG Compound ID C00568
KEGG Pathways PATH: map00623 2,4-Dichlorobenzoate degradation PATH: map00790 Folate biosynthesis
PubChem Compound ID 978
SMILES C1=CC(=CC=C1C(=O)O)N
Source File Reference bmse000066