Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3 |
|---|---|
| SMILES | CC(c1ccc(cc1)N)(C)C |
| InChI Key | WRDWWAVNELMWAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
| Exact Mass | 149.233 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/WRDWWAVNELMWAM-UHFFFAOYSA-N/CHMO0000595 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/WRDWWAVNELMWAM-UHFFFAOYSA-N/CHMO0000595 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-01-29T10:01:41.992211 |
| MetadataModified | 2025-02-04T11:37:49.110567 |
| MetadataPublished | 2024-09-12 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| ZINC000012358671 | ZINC |
| CB7176339 | ChemicalBook |
| 20207442 | NMRShiftDB |
| MCULE-1655436391 | Mcule |
| 47H9440ZOW | FDA SRS |
| SCHEMBL33319 | SureChEMBL |
| 769-92-6 | ACToR |
| 14940644 | PubChem: Thomson Pharma |
| 69861 | PubChem |
| 487383 | eMolecules |
| CHEMBL1800270 | ChEMBL |
| DTXSID0048181 | EPA CompTox Dashboard |
| J193.149K | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |