Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H18BrN3/c1-17(2,3)20-16-15(12-8-4-5-9-13(12)18)19-14-10-6-7-11-21(14)16/h4-11,20H,1-3H3
SMILES Brc1ccccc1c1nc2n(c1NC(C)(C)C)cccc2
InChI Key ZHNWMBYOQOJQTI-UHFFFAOYSA-N
Molecular Formula C17H18BrN3
Exact Mass 344.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZHNWMBYOQOJQTI-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ZHNWMBYOQOJQTI-UHFFFAOYSA-N/CHMO0001146
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:46:30.224288
MetadataModified 2024-09-07T23:34:32.184110
MetadataPublished 2022-09-23
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
57337115 PubChem
J3.043.329G Nikkaji
136346244 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.