Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C54H50O4/c1-31-27-49(51-29-33(3)47(25-37(51)7)41-15-19-43(20-16-41)53(55)57-9)35(5)23-45(31)39-11-13-40(14-12-39)46-24-36(6)50(28-32(46)2)52-30-34(4)48(26-38(52)8)42-17-21-44(22-18-42)54(56)58-10/h11-30H,1-10H3
SMILES COC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1cc(C)c(cc1C)c1ccc(cc1)c1cc(C)c(cc1C)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)OC
InChI Key FHMQAXZFAVEMQD-UHFFFAOYSA-N
Molecular Formula C54H50O4
Exact Mass 762.972 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FHMQAXZFAVEMQD-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/FHMQAXZFAVEMQD-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • methyl 4-[4-[4-[4-[4-[4-(4-methoxycarbonylphenyl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]phenyl]-2,5-dimethylphenyl]-2,5-dimethylphenyl]benzoate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681769 PubChem
    The data in this table is sourced from UniChem at EBI.