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/C14H20BFO2/c1-4-5-11-6-7-12(8-13(11)16)15-17-9-14(2,3)10-18-15/h6-8H,4-5,9-10H2,1-3H3
SMILES CCCc1ccc(cc1F)B1OCC(CO1)(C)C
InChI Key FGQGKTBEAZWFCF-UHFFFAOYSA-N
Molecular Formula C14H20BFO2
Exact Mass 250.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGQGKTBEAZWFCF-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/FGQGKTBEAZWFCF-UHFFFAOYSA-N/CHMO0000597
Version
Author Peter Baeuerle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:49:33.500171
MetadataModified 2025-01-29T16:41:51.721243
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.908.700J Nikkaji
16168974 PubChem: Thomson Pharma
11096981 PubChem
The data in this table is sourced from UniChem at EBI.