Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3 |
|---|---|
| SMILES | O=Cc1ccc(cc1)C(C)(C)C |
| InChI Key | OTXINXDGSUFPNU-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
| Exact Mass | 162.228 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/OTXINXDGSUFPNU-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/OTXINXDGSUFPNU-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-03-02T03:10:53.283110 |
| MetadataModified | 2025-03-02T03:10:53.283121 |
| MetadataPublished | 2025-02-28 |
| Related Molecule |