Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O3/c1-15-10-4-6-3-9(11(14)16-2)13-8(6)5-7(10)12/h3-5,13H,12H2,1-2H3
SMILES COC(=O)c1[nH]c2c(c1)cc(c(c2)N)OC
InChI Key NUEAMEKYUIPKTC-UHFFFAOYSA-N
Molecular Formula C11H12N2O3
Exact Mass 220.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NUEAMEKYUIPKTC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NUEAMEKYUIPKTC-UHFFFAOYSA-N/CHMO0000593
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • methyl 6-amino-5-methoxy-1H-indole-2-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8355371 surechembl
    13917041 pubchem
    Molport-022-387-919 molport
    The data in this table is sourced from UniChem at EBI.