Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
InChI | InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2 |
---|---|
SMILES | Nc1cccc2c1C(=O)c1ccccc1C2=O |
InChI Key | KHUFHLFHOQVFGB-UHFFFAOYSA-N |
Exact Mass | 223.227 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KHUFHLFHOQVFGB-UHFFFAOYSA-N/CHMO0000601 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KHUFHLFHOQVFGB-UHFFFAOYSA-N/CHMO0000601 |
Version | |
Author | Fabian Schönle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:34:06.570580 |
MetadataModified | 2024-09-23T09:26:44.223548 |
MetadataPublished | 2024-08-28 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
476444 | eMolecules |
CHEMBL88502 | ChEMBL |
135932 | Brenda |
49642 | Brenda |
CB9435391 | ChemicalBook |
ZINC000003850741 | ZINC |
DTXSID2052572 | EPA CompTox Dashboard |
50094891 | BindingDB |
6710 | PubChem |
N5YYY1NEUI | FDA SRS |
15196017 | PubChem: Thomson Pharma |
25620-59-1 | ACToR |
82-45-1 | ACToR |
SCHEMBL26348 | SureChEMBL |
BOSMOM | CCDC |
30101668 | NMRShiftDB |
J55.383B | Nikkaji |
MCULE-5289394961 | Mcule |
The data in this table is sourced from UniChem at EBI. |