Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)
SMILES O1CCN(CC1)CCNc1nc2c(c3c1cccc3)nc1n2cccc1
InChI Key NYRZJQHSBUCBRV-UHFFFAOYSA-N
Molecular Formula C20H21N5O
Exact Mass 347.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NYRZJQHSBUCBRV-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NYRZJQHSBUCBRV-UHFFFAOYSA-N/CHMO0001150
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-01-23
Related Molecule
  • N-(2-morpholin-4-ylethyl)-9,11,17-triazatetracyclo[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
    166451850 PubChem
    The data in this table is sourced from UniChem at EBI.