Dataset
![molecular Image]()
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
| InChI | InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 |
|---|---|
| SMILES | N1CCc2c(C1)cccc2 |
| InChI Key | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
| Molecular Formula | C9H11N |
| Exact Mass | 133.190 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UWYZHKAOTLEWKK-UHFFFAOYSA-N/CHMO0001146 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UWYZHKAOTLEWKK-UHFFFAOYSA-N/CHMO0001146 |
| Version | |
| Author | Jana Alpin |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-04-13T02:14:13.845841 |
| MetadataModified | 2025-04-13T02:14:13.845846 |
| MetadataPublished | 2025-04-10 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear single quantum coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 13016 | BindingDB |
| LSM-37002 | LINCS |
| 125498 | ChEBI |
| DTXSID6026115 | EPA CompTox Dashboard |
| J4.337K | Nikkaji |
| 247670 | Brenda |
| CHEMBL14346 | ChEMBL |
| SCHEMBL19085 | SureChEMBL |
| PD093781 | ProbesDrugs |
| 7046 | PubChem |
| 15219017 | PubChem: Thomson Pharma |
| 91-21-4 | ACToR |
| 532104 | eMolecules |
| CB5126507 | ChemicalBook |
| 4460 | Brenda |
| HMDB0012489 | Human Metabolome Database |
| ZINC000003860771 | ZINC |
| 2CK | PDBe |
| 10016184 | NMRShiftDB |
| 56W89FBX3E | FDA SRS |
| MCULE-1879569263 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |