Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C36H36O12/c1-7-43-31(37)25-13-19-20(14-26(25)32(38)44-8-2)22-16-28(34(40)46-10-4)30(36(42)48-12-6)18-24(22)23-17-29(35(41)47-11-5)27(15-21(19)23)33(39)45-9-3/h13-18H,7-12H2,1-6H3
SMILES CCOC(=O)c1cc2c(cc1C(=O)OCC)c1cc(C(=O)OCC)c(cc1c1c2cc(C(=O)OCC)c(c1)C(=O)OCC)C(=O)OCC
InChI Key GYQQXPYOCWWILU-UHFFFAOYSA-N
Molecular Formula C36H36O12
Exact Mass 660.664 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYQQXPYOCWWILU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/GYQQXPYOCWWILU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • hexaethyl triphenylene-2,3,6,7,10,11-hexacarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427489 pubchem
    The data in this table is sourced from UniChem at EBI.