Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1c(F)cccc1F
InChI Key ADHKLRLGCVHQCG-UHFFFAOYSA-N
Molecular Formula C12H15BF2O2
Exact Mass 240.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ADHKLRLGCVHQCG-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ADHKLRLGCVHQCG-UHFFFAOYSA-N/CHMO0000597
Version
Author Peter Baeuerle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:49:46.724544
MetadataModified 2025-01-29T16:42:03.969847
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
44717719 PubChem
17266715 eMolecules
SCHEMBL15026275 SureChEMBL
DTXSID20660307 EPA CompTox Dashboard
J3.294.934G Nikkaji
ZINC000169747283 ZINC
CB21107269 ChemicalBook
The data in this table is sourced from UniChem at EBI.