Dataset
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C11H14O3S/c1-10(2)14-15(12,13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+ |
|---|---|
| SMILES | CC(OS(=O)(=O)/C=C/c1ccccc1)C |
| InChI Key | OPTQKNRBAMBSSR-CMDGGOBGSA-N |
| Molecular Formula | C11H14O3S |
| Exact Mass | 226.292 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/OPTQKNRBAMBSSR-CMDGGOBGSA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/OPTQKNRBAMBSSR-CMDGGOBGSA-N/CHMO0000470 |
| Version | |
| Author | Georg Manolikakes |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-01-29T10:11:19.711060 |
| MetadataModified | 2025-01-29T16:04:37.794345 |
| MetadataPublished | 2024-10-15 |
| Related Molecule |