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/C13H11F2N5O/c1-8(21)20-7-10-6-19(17-13(10)16-18-20)5-9-2-11(14)4-12(15)3-9/h2-4,6H,5,7H2,1H3
SMILES Fc1cc(cc(c1)F)Cn1cc2c(n1)N=NN(C2)C(=O)C
InChI Key CEFFSZUXPZAWPN-UHFFFAOYSA-N
Molecular Formula C13H11F2N5O
Exact Mass 291.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CEFFSZUXPZAWPN-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/CEFFSZUXPZAWPN-UHFFFAOYSA-N/CHMO0000597
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:47:16.536380
MetadataModified 2024-09-07T20:04:54.241618
MetadataPublished 2021-07-11
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
155928544 PubChem
The data in this table is sourced from UniChem at EBI.