Dataset
![molecular Image]()
Butachlor
Chemical Info
| InChI | InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3 |
|---|---|
| SMILES | CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl |
| InChI Key | HKPHPIREJKHECO-UHFFFAOYSA-N |
| Molecular Formula | C17H26ClNO2 |
| Exact Mass | 311.165 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00379305 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T09:32:46.860777 |
| MetadataModified | 2025-02-09T09:32:47.060983 |
| MetadataPublished | 2024-06-14 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1399036 | ChEMBL |
| C10931 | KEGG Ligand |
| HMDB0249451 | Human Metabolome Database |
| J1.872D | Nikkaji |
| ZINC000001532059 | ZINC |
| 3230 | ChEBI |
| HY-B2042 | MedChemExpress |
| 246638 | Brenda |
| DTXSID3034402 | EPA CompTox Dashboard |
| 62792 | Brenda |
| CB2693046 | ChemicalBook |
| 3230 | Rhea |
| 20209007 | NMRShiftDB |
| 31677 | PubChem |
| 23184-66-9 | ACToR |
| SCHEMBL65784 | SureChEMBL |
| 94NU90OO5K | FDA SRS |
| 14850091 | PubChem: Thomson Pharma |
| 502862 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |