Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C42H42O4/c1-25(2)45-41(43)35-17-13-33(14-18-35)39-23-27(5)37(21-29(39)7)31-9-11-32(12-10-31)38-22-30(8)40(24-28(38)6)34-15-19-36(20-16-34)42(44)46-26(3)4/h9-26H,1-8H3
SMILES CC(OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)OC(C)C)C
InChI Key MIMFCGSADKSMFC-UHFFFAOYSA-N
Molecular Formula C42H42O4
Exact Mass 610.780 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIMFCGSADKSMFC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MIMFCGSADKSMFC-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • propan-2-yl 4-[4-[4-[2,5-dimethyl-4-(4-propan-2-yloxycarbonylphenyl)phenyl]phenyl]-2,5-dimethylphenyl]benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681772 pubchem
    The data in this table is sourced from UniChem at EBI.