Dataset
![molecular Image]()
infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) |
|---|---|
| SMILES | CC(=O)NCC(=O)O |
| InChI Key | OKJIRPAQVSHGFK-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO3 |
| Exact Mass | 117.103 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/OKJIRPAQVSHGFK-UHFFFAOYSA-N/IR |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/OKJIRPAQVSHGFK-UHFFFAOYSA-N/IR |
| Version | |
| Author | Yu-Chieh Huang |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T01:13:13.035690 |
| MetadataModified | 2024-09-07T15:17:04.368617 |
| MetadataPublished | 2019-06-27 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | infrared absorption spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 10972 | PubChem |
| 14940495 | PubChem: Thomson Pharma |
| U2UT4677KR | FDA SRS |
| 543-24-8 | ACToR |
| PD007697 | ProbesDrugs |
| 474739 | eMolecules |
| 31336 | Brenda |
| 92256 | Brenda |
| 5189 | Brenda |
| MTBLC40410 | Metabolights |
| 16119 | Brenda |
| HMDB0000532 | Human Metabolome Database |
| CB2488439 | ChemicalBook |
| 13030 | Brenda |
| MCULE-5811325186 | Mcule |
| SCHEMBL5876 | SureChEMBL |
| ACYGLY | CCDC |
| J2.645J | Nikkaji |
| ZINC000001683660 | ZINC |
| DTXSID2043793 | EPA CompTox Dashboard |
| 229125 | Brenda |
| HY-Y0069 | MedChemExpress |
| 82197 | BindingDB |
| 10016977 | NMRShiftDB |
| DB02713 | DrugBank |
| CHEMBL289004 | ChEMBL |
| 40410 | ChEBI |
| AAC | PDBe |
| The data in this table is sourced from UniChem at EBI. | |