Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H14FOP/c19-17-13-7-8-14-18(17)21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
SMILES Fc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChI Key MTSVGCFANKMACF-UHFFFAOYSA-N
Exact Mass 296.275 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTSVGCFANKMACF-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/MTSVGCFANKMACF-UHFFFAOYSA-N/CHMO0000597
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-09-09
Related Molecule
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
13005284 PubChem
DTXSID20514856 EPA CompTox Dashboard
ZINC000095611999 ZINC
SCHEMBL780209 SureChEMBL
The data in this table is sourced from UniChem at EBI.