Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C36H30O4/c1-21-19-33(27-9-13-29(14-10-27)35(37)38)23(3)17-31(21)25-5-7-26(8-6-25)32-18-24(4)34(20-22(32)2)28-11-15-30(16-12-28)36(39)40/h5-20H,1-4H3,(H,37,38)(H,39,40)
SMILES OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)O
InChI Key JNIKOZFXDUMLDX-UHFFFAOYSA-N
Molecular Formula C36H30O4
Exact Mass 526.621 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JNIKOZFXDUMLDX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JNIKOZFXDUMLDX-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-22
Related Molecule
  • 4-[4-[4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]phenyl]-2,5-dimethylphenyl]benzoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154723618 PubChem
    The data in this table is sourced from UniChem at EBI.