Dataset
thin-layer chromatography (TLC)
Chemical Info
InChI | InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-7(10-5-6)9(12)14-2/h3-5H,1-2H3 |
---|---|
SMILES | COC(=O)c1ccc(cn1)C(=O)OC |
InChI Key | TUGSJNQAIMFEDY-UHFFFAOYSA-N |
Molecular Formula | C9H9NO4 |
Exact Mass | 195.172 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/TUGSJNQAIMFEDY-UHFFFAOYSA-N/TLC |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/TUGSJNQAIMFEDY-UHFFFAOYSA-N/TLC |
Version | |
Author | Joshua Kramer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:44:17.375704 |
MetadataModified | 2024-09-07T13:02:42.696200 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | thin-layer chromatography |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID50284116 | EPA CompTox Dashboard |
ZINC000000076763 | ZINC |
29100 | Brenda |
CB1767704 | ChemicalBook |
SCHEMBL69747 | SureChEMBL |
MCULE-3897718353 | Mcule |
J117.524F | Nikkaji |
234911 | PubChem |
16082017 | PubChem: Thomson Pharma |
881-86-7 | ACToR |
CHEMBL1412582 | ChEMBL |
518929 | eMolecules |
The data in this table is sourced from UniChem at EBI. |