Dataset
19F nuclear magnetic resonance spectroscopy (19F NMR)
Chemical Info
InChI | InChI=1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3 |
---|---|
SMILES | O=Cc1ccc(c(c1)F)C |
InChI Key | UFPBMVRONDLOGK-UHFFFAOYSA-N |
Molecular Formula | C8H7FO |
Exact Mass | 138.139 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/UFPBMVRONDLOGK-UHFFFAOYSA-N/CHMO0000597 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UFPBMVRONDLOGK-UHFFFAOYSA-N/CHMO0000597 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-04-13T02:13:10.992446 |
MetadataModified | 2025-04-13T02:13:10.992451 |
MetadataPublished | 2025-04-10 |
Related Molecule |
|
Field | Value |
---|---|
Measurement Technique | 19F nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
20040715 | NMRShiftDB |
MCULE-6134462002 | Mcule |
ZINC000002382211 | ZINC |
CB0697787 | ChemicalBook |
2774574 | PubChem |
177756-62-6 | ACToR |
SCHEMBL229897 | SureChEMBL |
15886120 | PubChem: Thomson Pharma |
CHEMBL1650251 | ChEMBL |
DTXSID80379105 | EPA CompTox Dashboard |
J1.302.325E | Nikkaji |
517014 | eMolecules |
The data in this table is sourced from UniChem at EBI. |