Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C27H26N2O5/c1-15-24(28-25(30)16-9-11-17(32-2)12-10-16)23-21(13-18(33-3)14-22(23)34-4)27(15)20-8-6-5-7-19(20)26(31)29-27/h5-15,24H,1-4H3,(H,28,30)(H,29,31)/t15-,24-,27+/m0/s1
SMILES COc1ccc(cc1)C(=O)N[C@@H]1c2c(OC)cc(cc2[C@]2([C@H]1C)NC(=O)c1c2cccc1)OC
InChI Key KOCQLRVVUZNBMK-OHXAEJIZSA-N
Molecular Formula C27H26N2O5
Exact Mass 458.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KOCQLRVVUZNBMK-OHXAEJIZSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/KOCQLRVVUZNBMK-OHXAEJIZSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • N-[(1S,2S,3S)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]-4-methoxybenzamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.