Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H |
|---|---|
| SMILES | c1ccc2c(c1)n1nnnc1cn2 |
| InChI Key | LGMVEBQKPYIMMI-UHFFFAOYSA-N |
| Molecular Formula | C8H5N5 |
| Exact Mass | 171.159 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/LGMVEBQKPYIMMI-UHFFFAOYSA-N/CHMO0000595.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/LGMVEBQKPYIMMI-UHFFFAOYSA-N/CHMO0000595.1 |
| Version | |
| Author | Laura Holzhauer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T06:09:44.054286 |
| MetadataModified | 2024-09-07T21:50:55.245998 |
| MetadataPublished | 2022-02-11 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 15091400 | PubChem: Thomson Pharma |
| SCHEMBL1602588 | SureChEMBL |
| J2.950.299D | Nikkaji |
| 10103592 | PubChem |
| MCULE-1790963457 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |