Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C27H30N4O/c1-3-4-5-6-7-12-19-32-27-26(30-24-15-10-11-16-25(24)31-27)18-17-21-20(2)28-22-13-8-9-14-23(22)29-21/h8-11,13-18H,3-7,12,19H2,1-2H3/b18-17+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C
InChI Key PLNPGXWUFFPEGZ-ISLYRVAYSA-N
Molecular Formula C27H30N4O
Exact Mass 426.553 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PLNPGXWUFFPEGZ-ISLYRVAYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/PLNPGXWUFFPEGZ-ISLYRVAYSA-N/CHMO0000470
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 2-methyl-3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]quinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197204 PubChem
    The data in this table is sourced from UniChem at EBI.