Dataset
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+ |
|---|---|
| SMILES | COc1cc(/C=C/C(=O)O)ccc1OC(=O)C |
| InChI Key | IHKNVZISLLDMOR-GQCTYLIASA-N |
| Molecular Formula | C12H12O5 |
| Exact Mass | 236.221 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/IHKNVZISLLDMOR-GQCTYLIASA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/IHKNVZISLLDMOR-GQCTYLIASA-N/CHMO0000470 |
| Version | |
| Author | Georg Manolikakes |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-01-29T10:10:00.932772 |
| MetadataModified | 2025-01-29T16:03:29.817557 |
| MetadataPublished | 2024-10-15 |
| Related Molecule |