Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
InChI | InChI=1S/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3 |
---|---|
SMILES | Cc1cccnc1Br |
InChI Key | PZSISEFPCYMBDL-UHFFFAOYSA-N |
Molecular Formula | C6H6BrN |
Exact Mass | 172.023 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/PZSISEFPCYMBDL-UHFFFAOYSA-N/CHMO0000601.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PZSISEFPCYMBDL-UHFFFAOYSA-N/CHMO0000601.1 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:43:09.821777 |
MetadataModified | 2024-09-08T01:43:09.821781 |
MetadataPublished | 2023-10-10 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
509110 | eMolecules |
SCHEMBL9573 | SureChEMBL |
16093707 | PubChem: Thomson Pharma |
3430-17-9 | ACToR |
DTXSID80277793 | EPA CompTox Dashboard |
ZINC000000152336 | ZINC |
CB9122668 | ChemicalBook |
220832 | PubChem |
J708.627J | Nikkaji |
YIKQUG | CCDC |
20209055 | NMRShiftDB |
MCULE-1253867272 | Mcule |
The data in this table is sourced from UniChem at EBI. |