Dataset
![molecular Image]()
2759-55-9.
Chemical Info
| InChI | InChI=1S/C10H13NO/c1-3-10(12)11-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12) |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C)C=C1 |
| InChI Key | XWSRKIHDBLVVQU-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
| Exact Mass | 163.220 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p10.s61.d287 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D287 |
| Version | |
| Author | |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-05-15T09:11:05.467747 |
| MetadataModified | 2024-09-23T09:37:51.900149 |
| MetadataPublished | 2022-10-28 13:30:58 |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 40055401 | NMRShiftDB |
| ZINC000000400034 | ZINC |
| J1.188.700G | Nikkaji |
| MolPort-000-137-802 | MolPort |
| MCULE-6249366258 | Mcule |
| 235816 | PubChem |
| SCHEMBL2625088 | SureChEMBL |
| 2759-55-9 | ACToR |
| 4338547 | eMolecules |
| 46489855 | PubChem: Thomson Pharma |
| The data in this table is sourced from UniChem at EBI. | |