Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Info

molecular Image
InChI InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H
SMILES C#Cc1ccc(cc1)C(c1ccc(cc1)C#C)(c1ccc(cc1)C#C)c1ccc(cc1)C#C
InChI Key JGUCYLISNORQFW-UHFFFAOYSA-N
Molecular Formula C33H20
Exact Mass 416.512 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JGUCYLISNORQFW-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/JGUCYLISNORQFW-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-09
Related Molecule
  • 1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12157742 PubChem
    CB92603886 ChemicalBook
    ZINC000113858238 ZINC
    J1.081.297F Nikkaji
    HAZQII CCDC
    SCHEMBL450726 SureChEMBL
    The data in this table is sourced from UniChem at EBI.