Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C17H17N5/c1-17(2,3)21-15-12-7-5-4-6-11(12)14-16(20-15)22-9-8-18-10-13(22)19-14/h4-10H,1-3H3,(H,20,21)
SMILES CC(Nc1nc2c(c3c1cccc3)nc1n2ccnc1)(C)C
InChI Key UDIATBZHGYLNCJ-UHFFFAOYSA-N
Molecular Formula C17H17N5
Exact Mass 291.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDIATBZHGYLNCJ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/UDIATBZHGYLNCJ-UHFFFAOYSA-N/CHMO0001150
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-01-23
Related Molecule
  • N-tert-butyl-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
    166451848 PubChem
    The data in this table is sourced from UniChem at EBI.