Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H14O6/c17-7-11-5-9(15(19)20)1-3-13(11)14-4-2-10(16(21)22)6-12(14)8-18/h1-6,17-18H,7-8H2,(H,19,20)(H,21,22)
SMILES OCc1cc(ccc1c1ccc(cc1CO)C(=O)O)C(=O)O
InChI Key XOMAWRGAHXFZSS-UHFFFAOYSA-N
Molecular Formula C16H14O6
Exact Mass 302.279 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XOMAWRGAHXFZSS-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XOMAWRGAHXFZSS-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-24
Related Molecule
  • 4-[4-carboxy-2-(hydroxymethyl)phenyl]-3-(hydroxymethyl)benzoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146036892 pubchem
    The data in this table is sourced from UniChem at EBI.