Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C28H21NO3/c30-27-21-13-7-8-14-22(21)28(31)26-24(32-18-20-11-5-2-6-12-20)16-15-23(25(26)27)29-17-19-9-3-1-4-10-19/h1-16,29H,17-18H2
SMILES O=C1c2c(OCc3ccccc3)ccc(c2C(=O)c2c1cccc2)NCc1ccccc1
InChI Key GQQCMSAXSHZGDN-UHFFFAOYSA-N
Molecular Formula C28H21NO3
Exact Mass 419.471 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GQQCMSAXSHZGDN-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/GQQCMSAXSHZGDN-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-09-26
Related Molecule
  • 1-(benzylamino)-4-phenylmethoxyanthracene-9,10-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    78210307 pubchem
    The data in this table is sourced from UniChem at EBI.