Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5) |
|---|---|
| SMILES | c1ncc[nH]1 |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
| Exact Mass | 68.077 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/RAXXELZNTBOGNW-UHFFFAOYSA-N/CHMO0000595 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/RAXXELZNTBOGNW-UHFFFAOYSA-N/CHMO0000595 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-01-29T10:57:48.456765 |
| MetadataModified | 2025-01-29T16:49:24.122863 |
| MetadataPublished | 2024-12-13 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CB6460617 | ChemicalBook |
| 16069 | Rhea |
| HMDB0001525 | Human Metabolome Database |
| 470 | Brenda |
| DB03366 | DrugBank |
| 30085 | Brenda |
| 10008798 | NMRShiftDB |
| MCULE-1410806694 | Mcule |
| SCHEMBL897 | SureChEMBL |
| 514577 | eMolecules |
| 116421-26-2 | ACToR |
| 7GBN705NH1 | FDA SRS |
| imidazole | Atlas |
| PD059667 | ProbesDrugs |
| 15321012 | PubChem: Thomson Pharma |
| 795 | PubChem |
| J2.566F | Nikkaji |
| DTXSID2029616 | EPA CompTox Dashboard |
| 7882 | BindingDB |
| HY-D0837 | MedChemExpress |
| ZINC000000901039 | ZINC |
| IMAZOL | CCDC |
| C01589 | KEGG Ligand |
| CHEMBL540 | ChEMBL |
| 16069 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |