Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H10O4/c1-2-10-9-13(16(19)20)7-8-14(10)11-3-5-12(6-4-11)15(17)18/h1,3-9H,(H,17,18)(H,19,20)
SMILES C#Cc1cc(ccc1c1ccc(cc1)C(=O)O)C(=O)O
InChI Key KWICUFUMJGNKKB-UHFFFAOYSA-N
Molecular Formula C16H10O4
Exact Mass 266.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWICUFUMJGNKKB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KWICUFUMJGNKKB-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • 4-(4-carboxyphenyl)-3-ethynylbenzoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    122367260 pubchem
    Molport-051-951-525 molport
    The data in this table is sourced from UniChem at EBI.