Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C24H12O12/c25-19(26)13-1-7-8(2-14(13)20(27)28)10-4-17(23(33)34)18(24(35)36)6-12(10)11-5-16(22(31)32)15(21(29)30)3-9(7)11/h1-6H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
SMILES OC(=O)c1cc2c(cc1C(=O)O)c1cc(C(=O)O)c(cc1c1c2cc(C(=O)O)c(c1)C(=O)O)C(=O)O
InChI Key VXNBSNYXVNPLRD-UHFFFAOYSA-N
Molecular Formula C24H12O12
Exact Mass 492.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VXNBSNYXVNPLRD-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/VXNBSNYXVNPLRD-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • triphenylene-2,3,6,7,10,11-hexacarboxylic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3872491 surechembl
    54416108 pubchem
    The data in this table is sourced from UniChem at EBI.