Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C21H23N5O2/c1-27-16-10-14-15(11-17(16)28-2)20(23-13-6-4-3-5-7-13)25-21-19(14)24-18-12-22-8-9-26(18)21/h8-13H,3-7H2,1-2H3,(H,23,25)
SMILES COc1cc2c(NC3CCCCC3)nc3c(c2cc1OC)nc1n3ccnc1
InChI Key OQALJCKHBAHWFS-UHFFFAOYSA-N
Molecular Formula C21H23N5O2
Exact Mass 377.440 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0001150
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-01-23
Related Molecule
  • N-cyclohexyl-4,5-dimethoxy-9,11,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-amine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166451847 PubChem
    The data in this table is sourced from UniChem at EBI.