Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Information
| InChI | InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12) |
|---|---|
| SMILES | O=c1[nH]c2ccccc2[nH]c1=O |
| InChI Key | ABJFBJGGLJVMAQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.145 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ABJFBJGGLJVMAQ-UHFFFAOYSA-N/CHMO0000596.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ABJFBJGGLJVMAQ-UHFFFAOYSA-N/CHMO0000596.1 |
| Version | |
| Author | Victor Larignon |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2021-12-25 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | distortionless enhancement with polarization transfer |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL282672 | chembl |
| 1029154 | surechembl |
| 239920 | surechembl |
| 29450004 | surechembl |
| 29495630 | surechembl |
| 30170557 | surechembl |
| 382385 | surechembl |
| 27491 | pubchem |
| APO55IZ9E1 | fdasrs |
| PD195935 | probes_and_drugs |
| HQOXDO | CCDC |
| Molport-001-014-347 | molport |
| Molport-003-355-864 | molport |
| 50008752 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |