Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
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. |