Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H9BrN2/c14-11-6-7-13-15-12(9-16(13)8-11)10-4-2-1-3-5-10/h1-9H
SMILES Brc1ccc2n(c1)cc(n2)c1ccccc1
InChI Key JECUQJPFGTUNCJ-UHFFFAOYSA-N
Molecular Formula C13H9BrN2
Exact Mass 273.128 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JECUQJPFGTUNCJ-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/JECUQJPFGTUNCJ-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:33:47.101489
MetadataModified 2024-09-08T00:33:47.101494
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000134520 ZINC
J3.139.199G Nikkaji
CB6680378 ChemicalBook
TIDVIN CCDC
DTXSID70347595 EPA CompTox Dashboard
6911758 eMolecules
SCHEMBL970456 SureChEMBL
74377118 PubChem: Thomson Pharma
MCULE-1484297314 Mcule
623430 PubChem
The data in this table is sourced from UniChem at EBI.