Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H10N2O4/c1-17-13(19)7-3-5-9-12-10(16(22)18(2)15(9)21)6-4-8(11(7)12)14(17)20/h3-6H,1-2H3
SMILES CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C
InChI Key FERUHHWVLZNKMW-UHFFFAOYSA-N
Molecular Formula C16H10N2O4
Exact Mass 294.262 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FERUHHWVLZNKMW-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/FERUHHWVLZNKMW-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Joana Krämer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-08
Related Molecule
  • 6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    127059 surechembl
    30937815 surechembl
    2762446 pubchem
    DAHMUX CCDC
    54555 brenda
    Molport-003-824-690 molport
    The data in this table is sourced from UniChem at EBI.