Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h13-15H2,1-3H3
SMILES COC(=O)c1c(N)c(C(=O)OC)c(c(c1N)C(=O)OC)N
InChI Key KLJBLDCULBNQFL-UHFFFAOYSA-N
Molecular Formula C12H15N3O6
Exact Mass 297.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KLJBLDCULBNQFL-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/KLJBLDCULBNQFL-UHFFFAOYSA-N/CHMO0000601
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-07-09
Related Molecule
  • trimethyl 2,4,6-triaminobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15113096 PubChem
    SCHEMBL15358293 SureChEMBL
    ZINC000143577664 ZINC
    The data in this table is sourced from UniChem at EBI.