Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C38H34O4/c1-21-17-33(23(3)15-31(21)27-7-11-29(12-8-27)37(39)40)35-19-26(6)36(20-25(35)5)34-18-22(2)32(16-24(34)4)28-9-13-30(14-10-28)38(41)42/h7-20H,1-6H3,(H,39,40)(H,41,42)
SMILES OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1cc(C)c(cc1C)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)O
InChI Key IOZOGPGWSDEVKR-UHFFFAOYSA-N
Molecular Formula C38H34O4
Exact Mass 554.674 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IOZOGPGWSDEVKR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IOZOGPGWSDEVKR-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-05
Related Molecule
  • 4-[4-[4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]-2,5-dimethylphenyl]benzoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681432 PubChem
    The data in this table is sourced from UniChem at EBI.