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4-Hydroxybenzaldehyde
SpectraBase Compound ID 55eA7Tjg4IF
InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey RGHHSNMVTDWUBI-UHFFFAOYSA-N
Mol Weight 122.12 g/mol
Molecular Formula C7H6O2
Exact Mass 122.036779 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ABXQptYtnq
Name 4-Hydroxybenzaldehyde
Acquisition Mode SIMULTANEOUS
CAS Registry Number 123-08-0
ChEBI ID 17597
Comments Saturated 1 4-Hydroxybenzaldehyde - Aldrich 14,408-8; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.
Formula C7 H6 O2
IUPAC Name 4-hydroxybenzaldehyde
InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey RGHHSNMVTDWUBI-UHFFFAOYSA-N
KEGG Compound ID C00633
KEGG Pathways PATH: map00362 Benzoate degradation via hydroxylation PATH: map00363 Bisphenol A degradation PATH: map00622 Toluene and xylene degradation
PubChem Compound ID 126
SMILES C1=CC(=CC=C1C=O)O
Source File Reference bmse000259