Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
SMILES OP(=O)(c1ccccc1)O
InChI Key QLZHNIAADXEJJP-UHFFFAOYSA-N
Molecular Formula C6H7O3P
Exact Mass 158.092 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QLZHNIAADXEJJP-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/QLZHNIAADXEJJP-UHFFFAOYSA-N/CHMO0000630
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-20
Related Molecule
  • phenylphosphonic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:191118 chebi
    SV7 rcsb_pdb
    CHEMBL179801 chembl
    34998 surechembl
    15295 pubchem
    BYD76T2868 fdasrs
    PD187917 probes_and_drugs
    BZPHOT CCDC
    47826 brenda
    48107 brenda
    HMDB0256444 hmdb
    80035634 nmrshiftdb2
    50162814 bindingdb
    The data in this table is sourced from UniChem at EBI.