Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
InChI | InChI=1S/C6H6BrNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2 |
---|---|
SMILES | Brc1ccc(c(c1)N)O |
InChI Key | JHRIPENGTGSNPJ-UHFFFAOYSA-N |
Exact Mass | 188.022 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/JHRIPENGTGSNPJ-UHFFFAOYSA-N/CHMO0001150 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JHRIPENGTGSNPJ-UHFFFAOYSA-N/CHMO0001150 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:28:53.289337 |
MetadataModified | 2024-09-23T09:26:15.340761 |
MetadataPublished | 2024-08-09 |
Field | Value |
---|---|
Measurement Technique | 1H–1H correlation spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
1103505 | eMolecules |
40925-68-6 | ACToR |
26523401 | PubChem: Thomson Pharma |
SCHEMBL282322 | SureChEMBL |
163884 | Brenda |
CB9260256 | ChemicalBook |
J89.384F | Nikkaji |
DTXSID00326075 | EPA CompTox Dashboard |
ZINC000000078184 | ZINC |
MCULE-6355681750 | Mcule |
351840 | PubChem |
The data in this table is sourced from UniChem at EBI. |