Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Information

molecular Image
InChI InChI=1S/C28H26N2O4/c1-17-26(29-24(31)14-13-18-9-5-4-6-10-18)25-22(15-19(33-2)16-23(25)34-3)28(17)21-12-8-7-11-20(21)27(32)30-28/h4-17,26H,1-3H3,(H,29,31)(H,30,32)/b14-13+/t17-,26-,28+/m0/s1
SMILES COc1cc(OC)c2c(c1)[C@@]1(NC(=O)c3c1cccc3)[C@H]([C@@H]2NC(=O)/C=C/c1ccccc1)C
InChI Key CYYPUJZZKLYOSV-DGWBDKCLSA-N
Molecular Formula C28H26N2O4
Exact Mass 454.517 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYYPUJZZKLYOSV-DGWBDKCLSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/CYYPUJZZKLYOSV-DGWBDKCLSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • (E)-N-[(1S,2S,3S)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]-3-phenylprop-2-enamide
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.