Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)
SMILES COc1cc2c(nc3c(c2cc1OC)nc1n3cccc1)NC(C)(C)C
InChI Key RGRCDEZDHRBRJV-UHFFFAOYSA-N
Molecular Formula C20H22N4O2
Exact Mass 350.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RGRCDEZDHRBRJV-UHFFFAOYSA-N/CHMO0001148.1
License URL
Source https://www.chemotion-repository.net/inchikey/RGRCDEZDHRBRJV-UHFFFAOYSA-N/CHMO0001148.1
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:15:59.876154
MetadataModified 2024-09-08T00:13:12.600093
MetadataPublished 2023-01-23
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
166451853 PubChem
The data in this table is sourced from UniChem at EBI.