Dataset
![molecular Image]()
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
| InChI | InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H |
|---|---|
| SMILES | O=Cc1cocc1 |
| InChI Key | AZVSIHIBYRHSLB-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
| Exact Mass | 96.084 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001148 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001148 |
| Version | |
| Author | Sylvia Vanderheiden-Schroen |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T03:56:06.761874 |
| MetadataModified | 2024-09-08T03:56:06.761880 |
| MetadataPublished | 2024-06-26 |
| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MTBLC87609 | Metabolights |
| 55501 | Brenda |
| 23843 | Brenda |
| CB0740540 | ChemicalBook |
| 120728 | Brenda |
| 494170 | eMolecules |
| 15461794 | PubChem: Thomson Pharma |
| 498-60-2 | ACToR |
| POB632X444 | FDA SRS |
| PD157968 | ProbesDrugs |
| 87609 | ChEBI |
| 50486228 | BindingDB |
| HY-76224 | MedChemExpress |
| J95.449G | Nikkaji |
| DTXSID40198076 | EPA CompTox Dashboard |
| ZINC000002040441 | ZINC |
| CHEMBL2228160 | ChEMBL |
| SCHEMBL133204 | SureChEMBL |
| 10351 | PubChem |
| 20026153 | NMRShiftDB |
| The data in this table is sourced from UniChem at EBI. | |