Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H10ClN3O3/c1-6(11(17)18-2)15-10(16)8-5-7(12)3-4-9(8)13-14-15/h3-6H,1-2H3/t6-/m0/s1
SMILES COC(=O)[C@@H](n1nnc2c(c1=O)cc(cc2)Cl)C
InChI Key JSWVARCYLIYFJQ-LURJTMIESA-N
Molecular Formula C11H10ClN3O3
Exact Mass 267.668 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JSWVARCYLIYFJQ-LURJTMIESA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/JSWVARCYLIYFJQ-LURJTMIESA-N/NMR/13C/CDCl3/62.5.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-10-22
Related Molecule
  • methyl (2S)-2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)propanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85468704 pubchem
    The data in this table is sourced from UniChem at EBI.