Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H6BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H
SMILES Brc1ccc(nc1)n1cccn1
InChI Key AAZVSSMAJOIOOI-UHFFFAOYSA-N
Molecular Formula C8H6BrN3
Exact Mass 224.057 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AAZVSSMAJOIOOI-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/AAZVSSMAJOIOOI-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:21:21.747937
MetadataModified 2024-09-08T00:20:07.799000
MetadataPublished 2023-02-07
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
17266248 eMolecules
22631144 PubChem
SCHEMBL2067481 SureChEMBL
DTXSID60627136 EPA CompTox Dashboard
ZINC000015021232 ZINC
CB01263097 ChemicalBook
The data in this table is sourced from UniChem at EBI.