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/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/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/NYRZJQHSBUCBRV-UHFFFAOYSA-N/CHMO0001148
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:15:21.612166
MetadataModified 2024-09-08T00:12:22.231895
MetadataPublished 2023-01-23
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
166451850 PubChem
The data in this table is sourced from UniChem at EBI.