Dataset
![molecular Image]()
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
| InChI | InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3 |
|---|---|
| SMILES | Cc1cc(N)c(cc1C)N |
| InChI Key | XSZYBMMYQCYIPC-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
| Exact Mass | 136.194 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/XSZYBMMYQCYIPC-UHFFFAOYSA-N/CHMO0000596 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/XSZYBMMYQCYIPC-UHFFFAOYSA-N/CHMO0000596 |
| Version | |
| Author | Jérôme Klein |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T05:00:31.279120 |
| MetadataModified | 2024-09-07T20:21:50.354564 |
| MetadataPublished | 2021-08-04 |
| Field | Value |
|---|---|
| Measurement Technique | distortionless enhancement with polarization transfer |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 76635 | PubChem |
| 20035533 | NMRShiftDB |
| MCULE-2184852546 | Mcule |
| CB4292911 | ChemicalBook |
| 1OJ9D3R6NH | FDA SRS |
| 110242 | Brenda |
| 91600 | Brenda |
| 91601 | Brenda |
| 537047 | eMolecules |
| 15982891 | PubChem: Thomson Pharma |
| SCHEMBL121858 | SureChEMBL |
| 3171-45-7 | ACToR |
| PD007745 | ProbesDrugs |
| 150 | PDBe |
| DB03180 | DrugBank |
| CHEMBL1229654 | ChEMBL |
| DTXSID1062885 | EPA CompTox Dashboard |
| GOGWEG | CCDC |
| J80.656K | Nikkaji |
| ZINC000000153351 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |