Dataset
![molecular Image]()
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)O |
| InChI Key | YSEKNCXYRGKTBJ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O5 |
| Exact Mass | 162.141 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/YSEKNCXYRGKTBJ-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/YSEKNCXYRGKTBJ-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Jérôme Klein |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T05:27:00.228547 |
| MetadataModified | 2024-09-07T20:56:15.568388 |
| MetadataPublished | 2022-01-07 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 20200704 | NMRShiftDB |
| SCHEMBL205700 | SureChEMBL |
| MCULE-7469251782 | Mcule |
| CB5884766 | ChemicalBook |
| 1587-15-1 | ACToR |
| 1012075 | eMolecules |
| 14891696 | PubChem: Thomson Pharma |
| 38115-87-6 | ACToR |
| 2DXY0K7M4R | FDA SRS |
| DTXSID2037213 | EPA CompTox Dashboard |
| CB2451350 | ChemicalBook |
| J110.677E | Nikkaji |
| 12674 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |