Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C28H23N3O2/c29-19-23-15-16-25(18-24(23)20-30)33-17-7-1-2-12-28(32)31-26-10-5-3-8-21(26)13-14-22-9-4-6-11-27(22)31/h3-6,8-11,13-16,18H,1-2,7,12,17H2
SMILES N#Cc1ccc(cc1C#N)OCCCCCC(=O)N1c2ccccc2C=Cc2c1cccc2
InChI Key MIWCYRZGZZUCSO-UHFFFAOYSA-N
Exact Mass 433.501 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIWCYRZGZZUCSO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MIWCYRZGZZUCSO-UHFFFAOYSA-N/CHMO0000595
Version
Author Erem Ahmetali
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-16
Related Molecule
  • nfdi4chem-mol1892 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : EAA-DBA-CO-Pht

    Date : 20241007

    Start time : 13.47 h

    Label : EAA-307

    ID : 326782

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.