Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
SMILES COC(=O)c1cc(N)cc(c1)C(=O)OC
InChI Key DEKPYXUDJRABNK-UHFFFAOYSA-N
Molecular Formula C10H11NO4
Exact Mass 209.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DEKPYXUDJRABNK-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DEKPYXUDJRABNK-UHFFFAOYSA-N/CHMO0001146
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • dimethyl 5-aminobenzene-1,3-dicarboxylate
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20209748 NMRShiftDB
    MCULE-3703634579 Mcule
    66831 PubChem
    SCHEMBL111187 SureChEMBL
    50891-97-9 ACToR
    CHEMBL4990241 ChEMBL
    536935 eMolecules
    99-27-4 ACToR
    CB5445316 ChemicalBook
    ZINC000000057151 ZINC
    DTXSID2059190 EPA CompTox Dashboard
    J76.331D Nikkaji
    POHDAV CCDC
    The data in this table is sourced from UniChem at EBI.