Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O4/c1-17-11-4-7-3-10(12(16)18-2)14-8(7)5-9(11)13-6-15/h3-6,14H,1-2H3,(H,13,15)
SMILES O=CNc1cc2[nH]c(cc2cc1OC)C(=O)OC
InChI Key DCYWQPPHKRQQGQ-UHFFFAOYSA-N
Molecular Formula C12H12N2O4
Exact Mass 248.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DCYWQPPHKRQQGQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DCYWQPPHKRQQGQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • methyl 6-formamido-5-methoxy-1H-indole-2-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.