Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
SMILES BrCc1ccccc1Br
InChI Key LZSYGJNFCREHMD-UHFFFAOYSA-N
Molecular Formula C7H6Br2
Exact Mass 249.931 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LZSYGJNFCREHMD-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/LZSYGJNFCREHMD-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:25:31.311971
MetadataModified 2024-09-08T03:25:31.311976
MetadataPublished 2024-05-09
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
J31.706C Nikkaji
DTXSID0063022 EPA CompTox Dashboard
ZINC000002140799 ZINC
16083867 PubChem: Thomson Pharma
SCHEMBL217088 SureChEMBL
3433-80-5 ACToR
484670 eMolecules
CB8255271 ChemicalBook
20112320 NMRShiftDB
MolPort-000-151-747 MolPort
MCULE-8955893790 Mcule
76965 PubChem
The data in this table is sourced from UniChem at EBI.