Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3 |
---|---|
SMILES | Cn1ccc2c1cccc2 |
InChI Key | BLRHMMGNCXNXJL-UHFFFAOYSA-N |
Exact Mass | 131.174 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/BLRHMMGNCXNXJL-UHFFFAOYSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BLRHMMGNCXNXJL-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Alex Johnson |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:28:06.509517 |
MetadataModified | 2024-09-23T09:26:13.317153 |
MetadataPublished | 2024-08-08 |
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL19912 | ChEMBL |
487004 | eMolecules |
CB1371608 | ChemicalBook |
120927 | Brenda |
SCHEMBL29812 | SureChEMBL |
11781 | PubChem |
14818201 | PubChem: Thomson Pharma |
603-76-9 | ACToR |
50098763 | BindingDB |
ZINC000001750961 | ZINC |
DTXSID3060534 | EPA CompTox Dashboard |
225056 | Brenda |
8H698ROJ5F | FDA SRS |
MCULE-1550838606 | Mcule |
HMDB0243941 | Human Metabolome Database |
J45.593H | Nikkaji |
MolPort-001-758-848 | MolPort |
10018782 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |