Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H17F3N4/c1-9(2)21(10(3)4)20-19-13-11(8-18)6-5-7-12(13)14(15,16)17/h5-7,9-10H,1-4H3/b20-19+
SMILES N#Cc1cccc(c1/N=N/N(C(C)C)C(C)C)C(F)(F)F
InChI Key KYQZOADBKSJHAL-FMQUCBEESA-N
Molecular Formula C14H17F3N4
Exact Mass 298.307 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KYQZOADBKSJHAL-FMQUCBEESA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KYQZOADBKSJHAL-FMQUCBEESA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:23:42.416983
MetadataModified 2024-09-08T00:23:09.908561
MetadataPublished 2023-02-13
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
BOCZEZ CCDC
J2.612.108F Nikkaji
53836808 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.