Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13) |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)NC(=O)C |
| InChI Key | NHLOBHNRBWKNIO-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.226 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/NHLOBHNRBWKNIO-UHFFFAOYSA-N/Mass |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/NHLOBHNRBWKNIO-UHFFFAOYSA-N/Mass |
| Version | |
| Author | Nicolai Wippert |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T00:43:37.317309 |
| MetadataModified | 2024-09-07T14:34:30.526313 |
| MetadataPublished | 2018-09-10 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| XODXAR | CCDC |
| J46.695F | Nikkaji |
| ZINC000000142827 | ZINC |
| DTXSID60277615 | EPA CompTox Dashboard |
| CB7483075 | ChemicalBook |
| 15438837 | PubChem: Thomson Pharma |
| SCHEMBL4289783 | SureChEMBL |
| 5338-44-3 | ACToR |
| 975051 | eMolecules |
| MCULE-9822838048 | Mcule |
| 220420 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |