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Chlorohydroquinone
SpectraBase Compound ID Em3eass7QOL
InChI InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey AJPXTSMULZANCB-UHFFFAOYSA-N
Mol Weight 144.56 g/mol
Molecular Formula C6H5ClO2
Exact Mass 143.997807 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LrtU12VlIjq
Name Chlorohydroquinone
Acquisition Mode SIMULTANEOUS
CAS Registry Number 140627-31-2; 68103-34-4; 134900-92-8
ChEBI ID 27675
Comments Saturated chlorohydroquinone - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference 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
Formula C6 H5 Cl O2
IUPAC Name 2-chlorobenzene-1,4-diol; 2-chlorohydroquinone
InChI InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey AJPXTSMULZANCB-UHFFFAOYSA-N
KEGG Compound ID C06601
KEGG Pathways PATH: ko00361 gamma-Hexachlorocyclohexane degradation
PubChem Compound ID 301
SMILES C1=CC(=C(C=C1O)Cl)O
Source File Reference bmse000358